Glycoside
GD117842
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,16-pentamethyl-17-(3-methyl-2-methylidenebutyl)-18,20-dioxahexacyclo[17.2.1.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,¹â¹]docosan-22-yl acetateFormula:
C45H72O15Smiles:
C=C(CC1OC23OCC4(C(CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(C)C6CCC54C)C2C1(C)O)C3OC(C)=O)C(C)CAglycone:
C=C(CC1OC23OCC4(C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1(C)O)C3OC(C)=O)C(C)CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 853.06 | Num_heavy_atoms: | 60 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD47044
Formula: C33H52O6
Smiles:
C=C(CC1OC23OCC4(C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1(C)O)C3OC(C)=O)C(C)C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
