Glycoside
GD142876
Name:
17-hydroxy-8,19-bis(hydroxymethyl)-2,8,15,19-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-11-ene-5-carboxylic acidFormula:
C37H58O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(OC6OCC(O)C(O)C6O)C(O)CC3(C)C45)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(O)C(O)CC3(C)C45)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57486
Formula: C32H50O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(O)C(O)CC3(C)C45)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
