Glycoside
GD035699
Name:
NoneFormula:
C29H28O8N2SSmiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.62 | Num_heavy_atoms: | 40 |
| TPSA: | 166.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD22577
Formula: C25H20O4N2S
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.51 | Num_heavy_atoms: | 32 |
| TPSA: | 96.1 | NumAromaticRings: | 4 |
