Glycoside
GD124140
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadec-14-ene-5-carboxylateFormula:
C38H60O19Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CC3(C=C4CO)CCC12Aglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -3.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 820.88 | Num_heavy_atoms: | 57 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47097
Formula: C20H30O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4CO)CCC12| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
