Glycoside
GD132617
Name:
6-(7-hydroxy-9a,11a-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylhept-2-en-4-oneFormula:
C33H52O8Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3CC(OC4OC(CO)C(O)C(O)C4O)C4CC(O)CCC4(C)C3=CCC12CAglycone:
CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.77 | Num_heavy_atoms: | 41 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53693
Formula: C27H42O3
Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
