Glycoside
GD132840
Name:
[5-hydroxy-1-(1-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-11-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acidFormula:
C32H56O11SSmiles:
CC(C)CCCC(CO)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CC(OC3OCC(O)C(O)C3O)C12CAglycone:
CC(C)CCCC(CO)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CC(O)C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 648.86 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53779
Formula: C27H48O7S
Smiles:
CC(C)CCCC(CO)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.74 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
