Glycoside
GD097998
Name:
NoneFormula:
C19H21O9N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnc(N)nc3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.4 | Num_heavy_atoms: | 33 |
| TPSA: | 194.79 | 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 |
AD41691
Formula: C8H7O2N5
Smiles:
Nc1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.18 | Num_heavy_atoms: | 15 |
| TPSA: | 117.52 | NumAromaticRings: | 2 |
