Glycoside
GD102850
Name:
NoneFormula:
C20H21O6N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccc5c(c4)OCO5)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.S=C(Nc1ccc2c(c1)OCO2)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.5 | Num_heavy_atoms: | 34 |
| TPSA: | 164.91 | 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 |
AD39893
Formula: C13H9O2N6S
Smiles:
S=C(Nc1ccc2c(c1)OCO2)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.32 | Num_heavy_atoms: | 22 |
| TPSA: | 94.76 | NumAromaticRings: | 2 |
