Glycoside
GD011641
Name:
NoneFormula:
C28H32O9N2Smiles:
COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12Aglycone:
COC(=O)Cc1c(C2Nc3ccccc3C2CC(=O)OC)[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 161.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD08871
Formula: C22H22O4N2
Smiles:
COC(=O)Cc1c(C2Nc3ccccc3C2CC(=O)OC)[nH]c2ccccc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.43 | Num_heavy_atoms: | 28 |
| TPSA: | 80.42 | NumAromaticRings: | 3 |
