Glycoside
GD006909
Name:
NoneFormula:
C50H50O18Smiles:
COC(=O)Cc1cccc(-c2cc(C(=O)c3ccc(C(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)OC)c5)c4)cc3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)Cc1cccc(-c2cc(C(=O)c3ccc(C(=O)c4ccc(O)c(-c5cccc(CC(=O)OC)c5)c4)cc3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 938.93 | Num_heavy_atoms: | 68 |
| TPSA: | 285.5 | NumAromaticRings: | 5 |
Unique Aglycone
AD05669
Formula: C38H30O8
Smiles:
COC(=O)Cc1cccc(-c2cc(C(=O)c3ccc(C(=O)c4ccc(O)c(-c5cccc(CC(=O)OC)c5)c4)cc3)ccc2O)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.65 | Num_heavy_atoms: | 46 |
| TPSA: | 127.2 | NumAromaticRings: | 5 |
