Glycoside
GD157262
Name:
3,4,5-trihydroxy-6-({7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)oxane-2-carboxylic acidFormula:
C25H40O8Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)CCC12Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50453
Formula: C19H32O2
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 292.46 | Num_heavy_atoms: | 21 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
