Glycoside
GD097958
Name:
NoneFormula:
C20H19O10N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnc4nonc4c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=c1[nH]cc(-c2cnc3nonc3c2)c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.4 | Num_heavy_atoms: | 35 |
| TPSA: | 194.8 | NumAromaticRings: | 3 |
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 |
AD41666
Formula: C9H5O3N5
Smiles:
O=c1[nH]cc(-c2cnc3nonc3c2)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.17 | Num_heavy_atoms: | 17 |
| TPSA: | 117.53 | NumAromaticRings: | 3 |
