Glycoside
GD151481
Name:
6-(7,11-dihydroxy-9a,11a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-methylheptyl acetateFormula:
C35H60O10Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(OC4OC(CO)C(O)C(O)C4O)CC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.86 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48877
Formula: C29H50O5
Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
