Glycoside
GD003049
Name:
ISOGENTIAKOCHIANOSIDEFormula:
C25H28O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(O)c(O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD02811
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
