Glycoside
GD010915
Name:
5,13-bis(3,4-dihydroxyphenyl)-21-[(3,4,5-trihydroxyoxan-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-6,9,17,19-tetrolFormula:
C35H32O16Smiles:
Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4Aglycone:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 708.63 | Num_heavy_atoms: | 51 |
| TPSA: | 268.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD08373
Formula: C30H24O12
Smiles:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 576.51 | Num_heavy_atoms: | 42 |
| TPSA: | 209.76 | NumAromaticRings: | 4 |
