Glycoside
GD115690
Name:
19-(1,2-dihydroxyethyl)-17-hydroxy-8-(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:
C38H60O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CC(O)C(OC6OCC(O)C(O)C6O)C3(C)C(O)CO)C45)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CC(O)C(O)C3(C)C(O)CO)C45)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 692.89 | Num_heavy_atoms: | 49 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45812
Formula: C33H52O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CC(O)C(O)C3(C)C(O)CO)C45)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.77 | Num_heavy_atoms: | 40 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
