Glycoside
GD016716
Name:
5,13-bis(4-hydroxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15,17,19-hexaene-9,17,19,21-tetrolFormula:
C36H34O15Smiles:
OC[C@@H]1O[C@H](O[C@@H]2Cc3c(O)cc4c(c3O[C@H]2c2ccc(O)cc2)[C@@H]2c3c(O)cc(O)cc3O[C@](c3ccc(O)cc3)(O4)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2Oc3c(c(O)cc4c3C3c5c(O)cc(O)cc5OC(c5ccc(O)cc5)(O4)C3O)CC2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 706.65 | Num_heavy_atoms: | 51 |
| TPSA: | 248.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD11997
Formula: C30H24O10
Smiles:
Oc1ccc(C2Oc3c(c(O)cc4c3C3c5c(O)cc(O)cc5OC(c5ccc(O)cc5)(O4)C3O)CC2O)cc1| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 544.51 | Num_heavy_atoms: | 40 |
| TPSA: | 169.3 | NumAromaticRings: | 4 |
