Glycoside
GD116912
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-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H60O10Smiles:
COC1OC(C=C(C)C)C(O)C1C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13Sugarmoiety:
COC1OC(C=C(C)C)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 158.3 | 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 |
