Glycoside
GD121513
Name:
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-7-{[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-4-oneFormula:
C35H58O7Smiles:
CCC(CCC(C)C1CCC2C3C(=O)C=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.84 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD47059
Formula: C29H48O2
Smiles:
CCC(CCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.7 | Num_heavy_atoms: | 31 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
