Glycoside
GD129722
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 14-hydroxy-5,9,14-trimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H52O14Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4(OC5OC(CO)C(O)C(O)C5O)CC3(CCC12)CC4(C)OAglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 660.75 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48945
Formula: C20H32O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4(C)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
