Glycoside
GD146182
Name:
betalainsFormula:
C24H28O13N2Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)CC(C(=O)O)N1Aglycone:
O=C(O)C1=CC(=CCN2c3cc(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: | 0.46 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 246.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD46344
Formula: C18H18O8N2
Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 167.63 | NumAromaticRings: | 1 |
