Glycoside
GD129402
Name:
NoneFormula:
C29H39O9N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 559.64 | Num_heavy_atoms: | 40 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD52423
Formula: C23H29O4N2
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.5 | Num_heavy_atoms: | 29 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
