Glycoside
GD123898
Name:
4-[3-(3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-3-hydroxy-2-oxobutyl]-3,5-dimethyloxolan-2-oneFormula:
C35H52O13Smiles:
CC1OC(=O)C(C)C1CC(=O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(OC5OC(CO)C(O)C(O)C5O)CC4(C)C3CCC12CAglycone:
CC1OC(=O)C(C)C1CC(=O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 680.79 | Num_heavy_atoms: | 48 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD50027
Formula: C29H42O8
Smiles:
CC1OC(=O)C(C)C1CC(=O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.65 | Num_heavy_atoms: | 37 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
