Glycoside
GD144491
Name:
NoneFormula:
C31H39O10N2Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCC1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCC1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.66 | Num_heavy_atoms: | 43 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD47775
Formula: C25H27O4N2
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCC1)C(O)C3| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 419.5 | Num_heavy_atoms: | 31 |
| TPSA: | 76.88 | NumAromaticRings: | 2 |
