Glycoside
GD136105
Name:
[5-hydroxy-1-(1-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acidFormula:
C33H58O12SSmiles:
CC(C)CCCC(CO)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
CC(C)CCCC(CO)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 678.88 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | 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 |
