Glycoside
GD142636
Name:
NoneFormula:
C36H41O18NSmiles:
CCCCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1Aglycone:
CCCCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.47 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 775.71 | Num_heavy_atoms: | 55 |
| TPSA: | 316.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD57397
Formula: C24H25O6N
Smiles:
CCCCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.47 | Num_heavy_atoms: | 31 |
| TPSA: | 123.99 | NumAromaticRings: | 3 |
