Glycoside
GD136712
Name:
[6-({4a,5-dihydroxy-7-methyl-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C22H26O13Smiles:
CC1=CC(O)C2(O)C=COC(OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)C12Aglycone:
CC1=CC(O)C2(O)C=COC(O)C12.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.44 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
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 |
AD49833
Formula: C9H12O4
Smiles:
CC1=CC(O)C2(O)C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
