Glycoside
GD116072
Name:
Virescenoside R3Formula:
C33H54O13Smiles:
C=CC1(C)CCC2(C)C(=CCC3C(C)(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)CC32C)C1Aglycone:
C=CC1(C)CCC2(C)C(=CCC3C(C)(CO)C(O)C(O)CC32C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.78 | Num_heavy_atoms: | 46 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46034
Formula: C21H34O3
Smiles:
C=CC1(C)CCC2(C)C(=CCC3C(C)(CO)C(O)C(O)CC32C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
