Glycoside
GD004498
Name:
NoneFormula:
C21H21O7NSmiles:
O=c1[nH]ccc2ccc(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc12Aglycone:
O=c1[nH]ccc2ccc(-c3ccc(O)cc3)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.4 | Num_heavy_atoms: | 29 |
| TPSA: | 132.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD03919
Formula: C15H11O2N
Smiles:
O=c1[nH]ccc2ccc(-c3ccc(O)cc3)cc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.26 | Num_heavy_atoms: | 18 |
| TPSA: | 53.09 | NumAromaticRings: | 3 |
