Glycoside
GD091193
Name:
NoneFormula:
C19H21O8N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CC(=O)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1CN(c2ncnc3c2N=C[N]3)C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.4 | Num_heavy_atoms: | 32 |
| TPSA: | 152.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD39755
Formula: C8H6ON5
Smiles:
O=C1CN(c2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.17 | Num_heavy_atoms: | 14 |
| TPSA: | 72.55 | NumAromaticRings: | 1 |
