Glycoside
GD126862
Name:
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C35H58O7Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC(=O)C5OC(O)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC=O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.84 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51352
Formula: C30H50O2
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC=O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.9 |
| AlogP: | 8.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.73 | Num_heavy_atoms: | 32 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
