Glycoside
GD000534
Name:
NoneFormula:
C19H24O6N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC4CC5CC4C4OC54)[n+]([O-])cnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.[O-][n+]1cnc2c(c1NC1CC3CC1C1OC31)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.44 | Num_heavy_atoms: | 31 |
| TPSA: | 161.0 | 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 |
AD00588
Formula: C12H12O2N5
Smiles:
[O-][n+]1cnc2c(c1NC1CC3CC1C1OC31)N=C[N]2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.26 | Num_heavy_atoms: | 19 |
| TPSA: | 90.85 | NumAromaticRings: | 1 |
