Glycoside
GD016441
Name:
NoneFormula:
C25H28O8N4SSmiles:
CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 179.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD02126
Formula: C20H20O4N4S
Smiles:
CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.47 | Num_heavy_atoms: | 29 |
| TPSA: | 117.99 | NumAromaticRings: | 2 |
