Glycoside
GD023893
Name:
NoneFormula:
C30H36O17Smiles:
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)cc1OAglycone:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD16022
Formula: C18H16O8
Smiles:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
