Glycoside
GD009016
Name:
NoneFormula:
C29H28O6N2Smiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccc3)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccc3)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.55 | Num_heavy_atoms: | 37 |
| TPSA: | 131.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD07125
Formula: C25H20O2N2
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccc3)ccc21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.45 | Num_heavy_atoms: | 29 |
| TPSA: | 61.96 | NumAromaticRings: | 4 |
