Glycoside
GD145197
Name:
NoneFormula:
C29H37O11N2Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 589.62 | Num_heavy_atoms: | 42 |
| TPSA: | 196.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD46857
Formula: C23H25O5N2
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(O)C3| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.46 | Num_heavy_atoms: | 30 |
| TPSA: | 97.11 | NumAromaticRings: | 2 |
