Glycoside
GD154810
Name:
3-[(3,4-dihydroxy-6-methyl-5-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneFormula:
C34H42O14Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(OC3CC(CO)C(O)C(O)C3O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.7 | Num_heavy_atoms: | 48 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
