Glycoside
GD079403
Name:
NoneFormula:
C14H21O6N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)N(C)C)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CN(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.43 | Num_heavy_atoms: | 28 |
| TPSA: | 171.8 | NumAromaticRings: | 2 |
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 |
AD30461
Formula: C7H9O2N6S
Smiles:
CN(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.26 | Num_heavy_atoms: | 16 |
| TPSA: | 101.65 | NumAromaticRings: | 1 |
