Glycoside
GD037518
Name:
NoneFormula:
C33H40O20Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -4.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
