Glycoside
GD024718
Name:
Sch 58777Formula:
C27H36O17Smiles:
COC[C@@H]1O[C@H](O[C@@H]2OC[C@@H]3O[C@]4(OC[C@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@H](OC)[C@H](O)[C@H]1OAglycone:
Cc1cc(O)cc(O)c1C(=O)OC1COC2(OC3COC(O)C(O)C3O2)C2OCOC12Sugarmoiety:
COCC1OC(O)C(OC)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 632.57 | Num_heavy_atoms: | 44 |
| TPSA: | 219.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD01376
Formula: C19H22O12
Smiles:
Cc1cc(O)cc(O)c1C(=O)OC1COC2(OC3COC(O)C(O)C3O2)C2OCOC12| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.37 | Num_heavy_atoms: | 31 |
| TPSA: | 162.6 | NumAromaticRings: | 1 |
