Glycoside
GD136661
Name:
[6-({9-[(benzoyloxy)methyl]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0³,â¹]nonan-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C30H32O15Smiles:
CC12CC(O)C3CC1(OC1OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2Aglycone:
CC12CC(O)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.57 | Num_heavy_atoms: | 45 |
| TPSA: | 238.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD06860
Formula: C17H18O6
Smiles:
CC12CC(O)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
