Glycoside
GD136066
Name:
6-(acetyloxy)-7-[(acetyloxy)methyl]-7-hydroxy-4-({[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C34H44O16Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(COC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 708.71 | Num_heavy_atoms: | 50 |
| TPSA: | 234.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD44186
Formula: C19H28O9
Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
