Glycoside
GD126950
Name:
2-{7-hydroxy-9a,11a-dimethyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-methylhept-2-en-4-oneFormula:
C33H52O7Smiles:
CC(=CC(=O)CC(C)C)C1CCC2C3CC(OC4OC(C)C(O)C(O)C4O)C4CC(O)CCC4(C)C3=CCC12CAglycone:
CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.77 | Num_heavy_atoms: | 40 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51388
Formula: C27H42O3
Smiles:
CC(=CC(=O)CC(C)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 |
