Glycoside
GD012105
Name:
NoneFormula:
C22H21O6NSmiles:
O=c1c(-c2ccc(-c3ccccc3)cc2)c(O)ccn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]ccc(O)c1-c1ccc(-c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.41 | Num_heavy_atoms: | 29 |
| TPSA: | 112.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD08216
Formula: C17H13O2N
Smiles:
O=c1[nH]ccc(O)c1-c1ccc(-c2ccccc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.3 | Num_heavy_atoms: | 20 |
| TPSA: | 53.09 | NumAromaticRings: | 3 |
