Glycoside
GD129099
Name:
6-({9a,11a-dimethyl-1,7-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H34O9Smiles:
CC12CCC3C(CCC4=C(OC5OC(C(=O)O)C(O)C(O)C5O)C(=O)CCC43C)C1CCC2=OAglycone:
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD52287
Formula: C19H26O3
Smiles:
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.41 | Num_heavy_atoms: | 22 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
