Glycoside
GD133834
Name:
1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-oneFormula:
C39H64O14Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(=O)C21CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CC(=O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45921
Formula: C27H44O4
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CC(=O)C21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
