Glycoside
GD028738
Name:
NoneFormula:
C36H44O23Smiles:
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)cc1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -4.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 844.73 | Num_heavy_atoms: | 59 |
| TPSA: | 363.88 | 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 |
