Glycoside
GD130316
Name:
2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O15Smiles:
CC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(OC2OC(CO)C(O)C(O)C2O)C3)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3cc(O)cc(O)c3CC2(O)O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 248.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD52808
Formula: C15H14O6
Smiles:
Oc1ccc(C2Oc3cc(O)cc(O)c3CC2(O)O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
