Glycoside
GD135173
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C33H42O14Smiles:
COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 662.69 | Num_heavy_atoms: | 47 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD51729
Formula: C21H22O6
Smiles:
COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.4 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
