Glycoside
GD141349
Name:
NoneFormula:
C36H46O11N3Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 696.77 | Num_heavy_atoms: | 50 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD49223
Formula: C30H34O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.62 | Num_heavy_atoms: | 38 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
