Glycoside
GD146183
Name:
NoneFormula:
C24H29O13N2Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)CC(C(=O)O)[NH2+]1Aglycone:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)[NH2+]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 553.5 | Num_heavy_atoms: | 39 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD49394
Formula: C18H19O8N2
Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)[NH2+]1| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.36 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
