Glycoside
GD012048
Name:
NoneFormula:
C16H24O12N4Smiles:
O=c1[nH]c(=O)c2[nH]c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2[nH]1Aglycone:
Cn1c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21Sugarmoiety:
OCC1OC(OCC(O)C(O)C(O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -6.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.38 | Num_heavy_atoms: | 32 |
| TPSA: | 263.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD08833
Formula: C6H6O3N4
Smiles:
Cn1c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.14 | Num_heavy_atoms: | 13 |
| TPSA: | 103.51 | NumAromaticRings: | 2 |
