Glycoside
GD155763
Name:
2-{2-[7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0âµ,¹³]trideca-1(13),9,11-trien-4-yl]-4,6-dihydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H34O15Smiles:
OCC1OC(Oc2c(O)cc(O)cc2C2C(c3ccc(O)cc3)Oc3cc(O)cc4c3C2C(O)C(c2ccc(O)c(O)c2)O4)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3cc(O)cc4c3C(C(O)C(c3ccc(O)c(O)c3)O4)C2c2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 694.64 | Num_heavy_atoms: | 50 |
| TPSA: | 259.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD61747
Formula: C29H24O10
Smiles:
Oc1ccc(C2Oc3cc(O)cc4c3C(C(O)C(c3ccc(O)c(O)c3)O4)C2c2cc(O)cc(O)c2O)cc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.17 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.5 | Num_heavy_atoms: | 39 |
| TPSA: | 180.3 | NumAromaticRings: | 4 |
