Glycoside
GD033653
Name:
NoneFormula:
C33H44O17Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(C=CCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3[C@H]2CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 712.7 | Num_heavy_atoms: | 50 |
| TPSA: | 255.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD21460
Formula: C21H24O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
