Glycoside
GD123317
Name:
6-({9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H34O8Smiles:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)CCC12Aglycone:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(O)CCC12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.54 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49753
Formula: C19H26O2
Smiles:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(O)CCC12| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 286.42 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
