Glycoside
GD144746
Name:
[3,4,5-tris(acetyloxy)-6-{[5-(furan-3-yl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,â¸]hexadec-15-en-12-yl]oxy}oxan-2-yl]methyl acetateFormula:
C34H40O15Smiles:
CC(=O)OCC1OC(OC23C=CC(OC2=O)C2C4(C)CC(c5ccoc5)OC(=O)C4CCC23C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 688.68 | Num_heavy_atoms: | 49 |
| TPSA: | 189.4 | NumAromaticRings: | 1 |
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 |
AD58142
Formula: C20H22O6
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
