Glycoside
GD013237
Name:
NoneFormula:
C25H28O7N8Cl2SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CCCl)CCCl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 631.5 | Num_heavy_atoms: | 41 |
| TPSA: | 200.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD09904
Formula: C18H16O3N7Cl2S
Smiles:
O=C(Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.32 | Num_heavy_atoms: | 29 |
| TPSA: | 130.75 | NumAromaticRings: | 2 |
