Glycoside
GD033783
Name:
NoneFormula:
C29H32O11N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.58 | Num_heavy_atoms: | 42 |
| TPSA: | 189.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD21538
Formula: C23H22O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.44 | Num_heavy_atoms: | 31 |
| TPSA: | 110.74 | NumAromaticRings: | 3 |
