Glycoside
GD115375
Name:
2-{[14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-15-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O14Smiles:
CC1(COC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(CO)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 662.77 | Num_heavy_atoms: | 46 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45631
Formula: C20H34O4
Smiles:
CC1(CO)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3O| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
