Glycoside
GD101287
Name:
NoneFormula:
C20H28O6N6SSmiles:
CC(C)(C)OC(=O)N1CC=C(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
CC(C)(C)OC(=O)N1CC=C(Nc2[nH]c(=S)nc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.55 | Num_heavy_atoms: | 33 |
| TPSA: | 157.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD42854
Formula: C15H19O2N6S
Smiles:
CC(C)(C)OC(=O)N1CC=C(Nc2[nH]c(=S)nc3c2N=C[N]3)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 347.42 | Num_heavy_atoms: | 24 |
| TPSA: | 96.71 | NumAromaticRings: | 1 |
