Glycoside
GD144327
Name:
NoneFormula:
C36H41O19NSmiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3c(c2O)C(=O)CC(c2cc(O)c(O)c(CC[OH2+])c2)O3)c[n-]1Aglycone:
CCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2cc(O)c(O)c(CC[OH2+])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: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.47 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 791.71 | Num_heavy_atoms: | 56 |
| TPSA: | 336.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD58003
Formula: C24H25O7N
Smiles:
CCc1cc(Cc2c(O)cc3c(c2O)C(=O)CC(c2cc(O)c(O)c(CC[OH2+])c2)O3)c[n-]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.46 | Num_heavy_atoms: | 32 |
| TPSA: | 144.22 | NumAromaticRings: | 3 |
