Glycoside
GD131495
Name:
17-(1,2-dihydroxyethyl)-19-hydroxy-8-(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C38H58O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(C(O)CO)C(OC3OCC(O)C(O)C3O)C6O)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(C(O)CO)C(O)C6O)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 690.87 | Num_heavy_atoms: | 49 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53272
Formula: C33H50O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(C(O)CO)C(O)C6O)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 558.76 | Num_heavy_atoms: | 40 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
