Glycoside
GD037025
Name:
NoneFormula:
C34H46O17Smiles:
COc1cc(C=CCOCC=Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CCOCC=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 16 |
| MolWt: | 726.73 | Num_heavy_atoms: | 51 |
| TPSA: | 244.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD23352
Formula: C22H26O7
Smiles:
COc1cc(C=CCOCC=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
