daphcalycinosidine
AlkaPlorer ID: AK067384
Synonym: 'Daphcalycinosidine C', ''
IUPAC Name: (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carbonyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Structure
SMILES: C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)OC[C@H]4O[C@@H](O[C@@H]6OC=C(C(=O)O)[C@H]7CC=C(CO)[C@@H]67)[C@H](O)[C@@H](O)[C@@H]4O)C[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C
InChI: InChI=1S/C38H49NO12/c1-16-11-39-12-19-6-3-17-4-8-21-23(10-38(28(17)21)32(44)22(16)9-26(39)37(19,38)2)34(47)48-15-25-29(41)30(42)31(43)36(50-25)51-35-27-18(13-40)5-7-20(27)24(14-49-35)33(45)46/h5,14,16,19-23,25-27,29-31,35-36,40-43H,3-4,6-13,15H2,1-2H3,(H,45,46)/t16-,19-,20-,21-,22-,23-,25-,26-,27-,29-,30+,31-,35+,36+,37-,38+/m1/s1
InChIKey: BGFSQHCTVLDZEX-QTLPULPNSA-N
Reference
New Alkaloids from <i>Daphniphyllum </i><i>c</i><i>alycinum</i>
PubChem CID: 21580235
LOTUS: LTS0237503
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum calycinum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 711.8050000000002
TPSA？: 192.52
MolLogP？: 1.2855000000000016
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|