Glycoside
GD144205
Name:
2-({15-[4-hydroxy-2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C43H70O14Smiles:
COC1OC(C=C(C)C)C(O)C1C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.COC1OC(C=C(C)C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 811.02 | Num_heavy_atoms: | 57 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46520
Formula: C22H36O2
Smiles:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.53 | Num_heavy_atoms: | 24 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
