Glycoside
GD133917
Name:
Virescenoside R2Formula:
C32H50O14Smiles:
C=CC1(C)C=C2C(=O)CC3C(C)(CC(O)C(O)C3(C)COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2CC1Aglycone:
C=CC1(C)C=C2C(=O)CC3C(C)(CC(O)C(O)C3(C)CO)C2CC1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50943
Formula: C20H30O4
Smiles:
C=CC1(C)C=C2C(=O)CC3C(C)(CC(O)C(O)C3(C)CO)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
