Glycoside
GD016703
Name:
[6-({4a,5,7-trihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C31H42O17Smiles:
COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C[C@@]4(O)[C@@H]3[C@](C)(O)C[C@H]4O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
CC1(O)CC(O)C2(O)C=COC(O)C12.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.66 | Num_heavy_atoms: | 48 |
| TPSA: | 263.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD04911
Formula: C9H14O5
Smiles:
CC1(O)CC(O)C2(O)C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.21 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
