Glycoside
GD154709
Name:
6-{[11a-methyl-1-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H32O11SSmiles:
CC12CCC3c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4CCC3C1CCC2OS(=O)(=O)OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2OS(=O)(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.58 | Num_heavy_atoms: | 36 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD61420
Formula: C18H24O5S
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2OS(=O)(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.45 | Num_heavy_atoms: | 24 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
