Glycoside
GD033693
Name:
NoneFormula:
C31H38O17Smiles:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1OCSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD21485
Formula: C19H18O8
Smiles:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
