Glycoside
GD088563
Name:
NoneFormula:
C16H21O6N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC(=O)OC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.COC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.45 | Num_heavy_atoms: | 30 |
| TPSA: | 172.75 | 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 |
AD34718
Formula: C9H9O2N6S
Smiles:
COC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.28 | Num_heavy_atoms: | 18 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
