Glycoside
GD154115
Name:
[3,4,5-tris(acetyloxy)-6-{2-methylidene-4-[11,14,16-tris(acetyloxy)-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-yl]butoxy}oxan-2-yl]methyl acetateFormula:
C47H66O18Smiles:
C=C(CCC1(O)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 14 |
| MolWt: | 919.03 | Num_heavy_atoms: | 65 |
| TPSA: | 232.02 | 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 |
AD61252
Formula: C33H48O9
Smiles:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(OC(C)=O)CC(OC(C)=O)C5(C)C4C(OC(C)=O)CC3(C)C2C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 588.74 | Num_heavy_atoms: | 42 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
