Glycoside
GD156426
Name:
6-({9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H38O7Smiles:
CC12C=CCC1C1CCC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC3(C)C1CC2Aglycone:
CC12C=CCC1C1CCC3CC(O)CCC3(C)C1CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.57 | Num_heavy_atoms: | 32 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD61942
Formula: C19H30O
Smiles:
CC12C=CCC1C1CCC3CC(O)CCC3(C)C1CC2| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.45 | Num_heavy_atoms: | 20 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
