Glycoside
GD145300
Name:
NoneFormula:
C37H48O11N3Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 710.8 | Num_heavy_atoms: | 51 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD52010
Formula: C31H36O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.65 | Num_heavy_atoms: | 39 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
