Glycoside
GD156204
Name:
NoneFormula:
C32H41O10N2Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 613.68 | Num_heavy_atoms: | 44 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD50719
Formula: C26H29O4N2
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)C(O)C3| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 433.53 | Num_heavy_atoms: | 32 |
| TPSA: | 76.88 | NumAromaticRings: | 2 |
