Glycoside
GD132660
Name:
NoneFormula:
C27H33O10N2Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.57 | Num_heavy_atoms: | 39 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD51968
Formula: C21H21O4N2
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C)C(O)C3| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 365.41 | Num_heavy_atoms: | 27 |
| TPSA: | 76.88 | NumAromaticRings: | 2 |
