Glycoside
GD031457
Name:
NoneFormula:
C32H40O13N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 223.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD05340
Formula: C20H20O3N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 65.56 | NumAromaticRings: | 2 |
