Glycoside

GD152853
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7,8-dihydroxy-13-(methoxymethyl)-4,13-dimethyl-12-oxo-11-oxatetracyclo[8.2.1.0¹,â¸.0³,â·]tridecane-3-carboxylateFormula:
C23H34O12Smiles:
COCC1(C)C2CC3(O)C4(O)CCC(C)C4(C(=O)OC4OC(CO)C(O)C(O)C4O)CC13C(=O)O2Aglycone:
COCC1(C)C2CC3(O)C4(O)CCC(C)C4(C(=O)O)CC13C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.91 |
AlogP: | -2.42 | Num_rotatable_bonds: | 5 |
MolWt: | 502.51 | Num_heavy_atoms: | 35 |
TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD60824
Formula: C17H24O7
Smiles:
COCC1(C)C2CC3(O)C4(O)CCC(C)C4(C(=O)O)CC13C(=O)O2HBA: | 7 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.88 |
AlogP: | 0.32 | Num_rotatable_bonds: | 3 |
MolWt: | 340.37 | Num_heavy_atoms: | 24 |
TPSA: | 113.29 | NumAromaticRings: | 0 |