Glycoside
GD154949
Name:
2-{[7-(5-ethyl-6-methyloctan-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:
C37H64O6Smiles:
CCC(C)C(CC)CCC(C)C1CCCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CCC(C)C(CC)CCC(C)C1CCCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 604.91 | Num_heavy_atoms: | 43 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD61500
Formula: C31H54O
Smiles:
CCC(C)C(CC)CCC(C)C1CCCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 8.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.77 | Num_heavy_atoms: | 32 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
