1-acetyl-3a,3b-dihydroxy-7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl pyridine-3-carboxylate
AlkaPlorer ID: AK266284
Synonym: None
IUPAC Name: [17-acetyl-8,14-dihydroxy-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C3=CC=CN=C3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1
InChI: InChI=1S/C54H81NO20/c1-26(57)33-14-17-54(63)52(33,6)39(72-49(61)30-11-10-18-55-24-30)23-38-51(5)15-13-32(19-31(51)12-16-53(38,54)62)70-40-20-34(64-7)46(27(2)67-40)73-41-21-35(65-8)47(28(3)68-41)74-42-22-36(66-9)48(29(4)69-42)75-50-45(60)44(59)43(58)37(25-56)71-50/h10-12,18,24,27-29,32-48,50,56,58-60,62-63H,13-17,19-23,25H2,1-9H3
InChIKey: FEZOREVQVGSRPW-UHFFFAOYSA-N
Reference
Amurensiosides A–K, 11 new pregnane glycosides from the roots of Adonis amurensis
PubChem CID: 75076568
LOTUS: LTS0071683
COCONUT: CNP0279075
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adonis amurensis | Adonis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1064.2290000000005
TPSA？: 279.17
MolLogP？: 2.405100000000008
Number of H-Donors: 6
Number of H-Acceptors: 21
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|