Glycoside
GD126662
Name:
2-{[7-(5-ethyl-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O6Smiles:
CCC(CCC(C)C1CCCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.89 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD51266
Formula: C30H52O
Smiles:
CCC(CCC(C)C1CCCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
