Glycoside
GD150609
Name:
22-cyclohexyl-20-hydroxy-7,18-bis(hydroxymethyl)-7,14,18-trimethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â·,²²]pentacos-3-ene-10-carboxylic acidFormula:
C42H66O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C2CCCCC2)CC(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C2CCCCC2)CC(O)C(O)C(C)(CO)C1CCC45CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 730.98 | Num_heavy_atoms: | 52 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD60144
Formula: C37H58O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C2CCCCC2)CC(O)C(O)C(C)(CO)C1CCC45C| HBA: | 6 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 598.87 | Num_heavy_atoms: | 43 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
