Glycoside
GD023944
Name:
NoneFormula:
C42H52O16N2Smiles:
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O)C(=O)C(O)=C3C(C)C)C(=CN[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O)C(=O)C(O)=C2C(C)CAglycone:
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN)C(=O)C(O)=C3C(C)C)C(=CN)C(=O)C(O)=C2C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.48 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 840.88 | Num_heavy_atoms: | 60 |
| TPSA: | 319.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD16048
Formula: C30H32O6N2
Smiles:
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN)C(=O)C(O)=C3C(C)C)C(=CN)C(=O)C(O)=C2C(C)C| HBA: | 8 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.59 | Num_heavy_atoms: | 38 |
| TPSA: | 167.1 | NumAromaticRings: | 2 |
