Glycoside
GD080950
Name:
NoneFormula:
C18H19O7N5Smiles:
O=c1ccn([C@@H]2O[C@@](CO)(n3cc(COc4ccccc4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
C1=C(COc2ccccc2)N=N[N]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.38 | Num_heavy_atoms: | 30 |
| TPSA: | 164.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21100
Formula: C9H8ON3
Smiles:
C1=C(COc2ccccc2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 174.18 | Num_heavy_atoms: | 13 |
| TPSA: | 48.05 | NumAromaticRings: | 1 |
