Glycoside
GD140693
Name:
NoneFormula:
C22H26O13N2Smiles:
O=C(O)C1=CC(N2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)CC(C(=O)O)N1Aglycone:
O=C(O)C1=CC(N2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.45 | Num_heavy_atoms: | 37 |
| TPSA: | 246.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD56722
Formula: C16H16O8N2
Smiles:
O=C(O)C1=CC(N2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.31 | Num_heavy_atoms: | 26 |
| TPSA: | 167.63 | NumAromaticRings: | 1 |
