Glycoside
GD035276
Name:
NoneFormula:
C19H22O6N6Smiles:
COc1cccc(CN(C)C(=O)[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(CN(C)C=O)c1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.42 | Num_heavy_atoms: | 31 |
| TPSA: | 168.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD22329
Formula: C10H13O2N
Smiles:
COc1cccc(CN(C)C=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
