Glycoside
GD146289
Name:
NoneFormula:
C29H37O10N2Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)C(O)C(O)CO)C(C)(C)O2Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 573.62 | Num_heavy_atoms: | 41 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD45259
Formula: C23H25O4N2
Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 393.46 | Num_heavy_atoms: | 29 |
| TPSA: | 76.88 | NumAromaticRings: | 2 |
