Glycoside
GD114156
Name:
4-hydroxy-6,19-bis(hydroxymethyl)-2,6,19-trimethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[20.4.2.0¹,¹â°.0²,â·.0¹â°,²³.0¹â´,²³.0¹â¶,²¹]octacos-22(28)-ene-16-carboxylic acidFormula:
C39H60O10Smiles:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(OC7OCC(O)C(O)C7O)C(O)CC6(C)C46CC=C(C2C1)C35CCC6Aglycone:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(O)C(O)CC6(C)C46CC=C(C2C1)C35CCC6Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 688.9 | Num_heavy_atoms: | 49 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD44864
Formula: C34H52O6
Smiles:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(O)C(O)CC6(C)C46CC=C(C2C1)C35CCC6| HBA: | 6 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.78 | Num_heavy_atoms: | 40 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
