Glycoside
GD156036
Name:
NoneFormula:
C37H43O18NSmiles:
CC(C)CCc1cc(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:
CC(C)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)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.49 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 789.74 | Num_heavy_atoms: | 56 |
| TPSA: | 316.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD61824
Formula: C25H27O6N
Smiles:
CC(C)CCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2ccc([OH2+])c(O)c2)O3)c[n-]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.49 | Num_heavy_atoms: | 32 |
| TPSA: | 123.99 | NumAromaticRings: | 3 |
