Glycoside
GD010602
Name:
NoneFormula:
C18H22O7N2Smiles:
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCCc1ccccc1Aglycone:
O=c1[nH]cc(OCCCc2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 134.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD08167
Formula: C13H14O3N2
Smiles:
O=c1[nH]cc(OCCCc2ccccc2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.27 | Num_heavy_atoms: | 18 |
| TPSA: | 74.95 | NumAromaticRings: | 2 |
