Glycoside
GD125786
Name:
2-({2,5,9b-trihydroxy-1-[7-hydroxy-5-(propan-2-yl)hept-5-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O10Smiles:
CC(C)C(=CCO)CCC(C)C1C(O)CC2C3=CC(O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3(O)CCC21CAglycone:
CC(C)C(=CCO)CCC(C)C1C(O)CC2C3=CC(O)C4CC(O)CCC4(C)C3(O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.84 | Num_heavy_atoms: | 45 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD50878
Formula: C29H48O5
Smiles:
CC(C)C(=CCO)CCC(C)C1C(O)CC2C3=CC(O)C4CC(O)CCC4(C)C3(O)CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
