Glycoside
GD114345
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoateFormula:
C30H50O10Smiles:
CC(CCC(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.72 | Num_heavy_atoms: | 40 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD22043
Formula: C24H40O5
Smiles:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.58 | Num_heavy_atoms: | 29 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
