Glycoside
GD030811
Name:
NoneFormula:
C37H38O21Smiles:
COc1cc(C=CC(=O)OC(O)[C@]2(O)CO[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)c(OC)c(O)c5c4=O)O[C@@H](CO)[C@@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O.COc1cc(C=CC(=O)OCO)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 818.69 | Num_heavy_atoms: | 58 |
| TPSA: | 334.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
AD19928
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)OCO)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
