Glycoside
GD128609
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H52O13Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4CC3(CCC12)CC4COC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.76 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52095
Formula: C20H32O3
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4CO| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
