Glycoside
GD035188
Name:
CHLORANOSIDE AFormula:
C21H28O9Smiles:
CC1=C2C[C@H]3[C@](O)(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]4C[C@H]4[C@@]3(C)C=C2OC1=OAglycone:
CC1=C2CC3C(C)(C=C2OC1=O)C1CC1C3(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD22279
Formula: C15H18O4
Smiles:
CC1=C2CC3C(C)(C=C2OC1=O)C1CC1C3(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
