Glycoside
GD142611
Name:
1-(5,6-dihydroxy-5,6-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-4-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C34H52O10Smiles:
CC(C(CC(C)(O)C(C)(C)O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3C(=CCC12C)C1(C)C=CC(=O)C=C1CC3OAglycone:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C(=CCC12C)C1(C)C=CC(=O)C=C1CC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57385
Formula: C28H42O5
Smiles:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C(=CCC12C)C1(C)C=CC(=O)C=C1CC3O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
