Glycoside
GD036975
Name:
NoneFormula:
C28H31O9NSmiles:
O=C(Nc1ccc(-c2ccccc2)cc1)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12Aglycone:
O=C(Nc1ccc(-c2ccccc2)cc1)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 525.55 | Num_heavy_atoms: | 38 |
| TPSA: | 157.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD23317
Formula: C22H21O4N
Smiles:
O=C(Nc1ccc(-c2ccccc2)cc1)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.41 | Num_heavy_atoms: | 27 |
| TPSA: | 78.79 | NumAromaticRings: | 2 |
