Glycoside
GD106472
Name:
HaplosidineFormula:
C27H33O14NSmiles:
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3OC(C)=O)ccc12Aglycone:
COc1c2ccoc2nc2c(OC)c(O)ccc12Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.55 | Num_heavy_atoms: | 42 |
| TPSA: | 208.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD01645
Formula: C13H11O4N
Smiles:
COc1c2ccoc2nc2c(OC)c(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.23 | Num_heavy_atoms: | 18 |
| TPSA: | 64.72 | NumAromaticRings: | 3 |
