Glycoside
GD118616
Name:
2-O-(6'-O-Acetyl-Beta-D-Glucopyranosyl)-IvasperinFormula:
C23H32O10Smiles:
C=C1C(=O)OC2CC3(C)C(CC12)C(=C)CC(OC1OC(COC(C)=O)C(O)C(O)C1O)C3OAglycone:
C=C1C(=O)OC2CC3(C)C(CC12)C(=C)CC(O)C3O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47445
Formula: C15H20O4
Smiles:
C=C1C(=O)OC2CC3(C)C(CC12)C(=C)CC(O)C3O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
