Glycoside
GD010654
Name:
NoneFormula:
C18H19O10N3Smiles:
O=C(CC(=O)OC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OCc1ccc(O)cn1Aglycone:
COC(=O)CC(=O)OCc1ccc(O)cn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.36 | Num_heavy_atoms: | 31 |
| TPSA: | 190.27 | NumAromaticRings: | 2 |
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 |
AD08201
Formula: C10H11O5N
Smiles:
COC(=O)CC(=O)OCc1ccc(O)cn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 225.2 | Num_heavy_atoms: | 16 |
| TPSA: | 85.72 | NumAromaticRings: | 1 |
