Glycoside
GD154455
Name:
NoneFormula:
C34H42O11N3Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 668.72 | Num_heavy_atoms: | 48 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD50742
Formula: C28H30O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.56 | Num_heavy_atoms: | 36 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
