Glycoside
GD094839
Name:
NoneFormula:
C19H28O8N4SSmiles:
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)C2Aglycone:
CC1(C)C2CCC1(CS(=O)(=O)NC1=C(C(N)=O)N=C[N]1)C(=O)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.52 | Num_heavy_atoms: | 32 |
| TPSA: | 194.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD40554
Formula: C14H19O4N4S
Smiles:
CC1(C)C2CCC1(CS(=O)(=O)NC1=C(C(N)=O)N=C[N]1)C(=O)C2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.4 | Num_heavy_atoms: | 23 |
| TPSA: | 132.79 | NumAromaticRings: | 0 |
