Glycoside
GD133959
Name:
(6-{[3,5-dihydroxy-2-({6,10,10,14,15-pentamethyl-21-methylidene-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹âµ.0²,â´.0âµ,¹â´.0â¶,¹¹.0¹â¸,²³]pentacosan-9-yl}oxy)oxan-4-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl acetateFormula:
C48H72O18Smiles:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OCC(O)C(OC8OC(COC(C)=O)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Aglycone:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1.COC(C)=OSugarmoiety:
CC1OC(OC2C(OC3C(O)COC(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 937.09 | Num_heavy_atoms: | 66 |
| TPSA: | 262.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44942
Formula: C29H42O4
Smiles:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 454.65 | Num_heavy_atoms: | 33 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
