Glycoside
GD128118
Name:
VernoguinosideFormula:
C35H52O11Smiles:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)CC1CC4Aglycone:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(O)CC1CC4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51898
Formula: C29H42O6
Smiles:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(O)CC1CC4| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
