Glycoside
GD114394
Name:
6-({11a-methyl-1,7-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H32O9Smiles:
CC12CCC3C4CCC(=O)C=C4CCC3C1C(OC1OC(C(=O)O)C(O)C(O)C1O)CC2=OAglycone:
CC12CCC3C4CCC(=O)C=C4CCC3C1C(O)CC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.51 | Num_heavy_atoms: | 33 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD45032
Formula: C18H24O3
Smiles:
CC12CCC3C4CCC(=O)C=C4CCC3C1C(O)CC2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
