Glycoside
GD120732
Name:
NoneFormula:
C32H40O11N3Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 642.68 | Num_heavy_atoms: | 46 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD48530
Formula: C26H28O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.53 | Num_heavy_atoms: | 34 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
