(1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-5-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-
AlkaPlorer ID: AK580811
Synonym: None
IUPAC Name: 1-[3-[5-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-12-(3-phenylprop-2-enoyloxy)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=CC3=CC=CC=C3)C3(C)C(O)(C(C)OC(=O)C5=CC=CN=C5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1
InChI: InChI=1S/C71H103NO24/c1-37-58(74)64(84-13)59(75)66(89-37)96-63-41(5)88-57(34-50(63)83-12)95-62-40(4)87-56(33-49(62)82-11)94-61-39(3)86-55(32-48(61)81-10)93-60-38(2)85-54(31-47(60)80-9)91-46-24-25-67(7)45(30-46)23-26-70(78)51(67)35-52(92-53(73)22-21-43-18-15-14-16-19-43)68(8)69(77,27-28-71(68,70)79)42(6)90-65(76)44-20-17-29-72-36-44/h14-23,29,36-42,46-52,54-64,66,74-75,77-79H,24-28,30-35H2,1-13H3
InChIKey: YIRVWNYIBBDILO-UHFFFAOYSA-N
Reference
Pregnane Glycosides from Marsdenia tomentosa.
PubChem CID: 85212694
CAS: 238398-33-9
LOTUS: LTS0039650
COCONUT: CNP0417392.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marsdenia tomentosa | Marsdenia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1354.5879999999995
TPSA？: 305.09
MolLogP？: 5.792900000000015
Number of H-Donors: 5
Number of H-Acceptors: 25
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|