Glycoside
GD134507
Name:
3a,7-dihydroxy-1-(2-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C33H56O10Smiles:
CC(C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12CAglycone:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.8 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50554
Formula: C27H46O5
Smiles:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
