Glycoside
GD129777
Name:
NoneFormula:
C32H36O12N2Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=[NH+]C5)C(O)C4O)c(OC4CCCCC4)c3O)O2)cc1Aglycone:
CC1=NC=[NH+]C1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4CCCCC4)c3O)O2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.64 | Num_heavy_atoms: | 46 |
| TPSA: | 207.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD50817
Formula: C4H7N2
Smiles:
CC1=NC=[NH+]C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.33 | NumAromaticRings: | 0 |
AD52576
Formula: C22H23O6
Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4CCCCC4)c3O)O2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 383.42 | Num_heavy_atoms: | 28 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
