Glycoside
GD144763
Name:
NoneFormula:
C34H37O19NSmiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)(O)C(O)C4O)C(O)C(O)C3O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1Aglycone:
CCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 763.66 | Num_heavy_atoms: | 54 |
| TPSA: | 336.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD52285
Formula: C22H21O6N
Smiles:
CCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.41 | Num_heavy_atoms: | 29 |
| TPSA: | 123.99 | NumAromaticRings: | 3 |
