Glycoside
GD135152
Name:
11,22-dimethyl 3,14-dioxo-8,19-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0â·,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylateFormula:
C34H44O22Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2=CCOC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CCOC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2=CCOC(=O)CC3C(C(=O)OC)=COC(O)C3=CCOC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 804.7 | Num_heavy_atoms: | 56 |
| TPSA: | 322.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD54659
Formula: C22H24O12
Smiles:
COC(=O)C1=COC(O)C2=CCOC(=O)CC3C(C(=O)OC)=COC(O)C3=CCOC(=O)CC12| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 164.12 | NumAromaticRings: | 0 |
