Glycoside
GD002029
Name:
KOROLKOSIDEFormula:
C36H52O20Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@@H]2O[C@H](O[C@@H]3OC=C(C(=O)OC)[C@H](CC(OC)OC)[C@H]3C=C)[C@H](O)[C@H](O)[C@H]2O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C(C(=O)OC)C(CC(OC)OC)C3C=C)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 804.79 | Num_heavy_atoms: | 56 |
| TPSA: | 266.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD01972
Formula: C30H42O15
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C(C(=O)OC)C(CC(OC)OC)C3C=C)C(O)C(O)C2O1| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 642.65 | Num_heavy_atoms: | 45 |
| TPSA: | 187.13 | NumAromaticRings: | 0 |
