Glycoside
GD119451
Name:
2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(3,7-dihydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C39H64O14Smiles:
CC(CO)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD47857
Formula: C27H44O4
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
