Glycoside
GD138973
Name:
1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-en-1-yl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-3,4,7-triolFormula:
C42H70O14Smiles:
CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)OAglycone:
CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD56059
Formula: C30H50O5
Smiles:
CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
