Glycoside
GD006502
Name:
KAKKALIDEFormula:
C28H32O15Smiles:
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC5OC[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD05375
Formula: C17H14O6
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
