Glycoside
GD033099
Name:
NoneFormula:
C33H40O21Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OC[C@@H]5O[C@H](O)[C@H](O)[C@H](O)[C@H]5O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -4.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 348.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD03173
Formula: C16H12O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
