Glycoside
GD135560
Name:
2-{[5,13-bis(3,4-dihydroxyphenyl)-17,19-dihydroxy-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H34O15Smiles:
OCC1OC(OC2C3c4c(O)cc(O)cc4OC2(c2ccc(O)c(O)c2)Oc2ccc4c(c23)OC(c2ccc(O)c(O)c2)CC4)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3ccc4c(c3C2C1O)OC(c1ccc(O)c(O)c1)CC4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 706.65 | Num_heavy_atoms: | 51 |
| TPSA: | 248.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD54813
Formula: C30H24O10
Smiles:
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3ccc4c(c3C2C1O)OC(c1ccc(O)c(O)c1)CC4| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 544.51 | Num_heavy_atoms: | 40 |
| TPSA: | 169.3 | NumAromaticRings: | 4 |
