Glycoside
GD031192
Name:
NoneFormula:
C33H51O21NSmiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](OCc4ccccc4)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.79 |
| AlogP: | -7.38 | Num_rotatable_bonds: | 14 |
| MolWt: | 797.76 | Num_heavy_atoms: | 55 |
| TPSA: | 345.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
Sugarmoiety
SD01573
CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O