Glycoside
GD137753
Name:
12beta-o-tigloyl-20-o-acetyl boucerin-3-o-beta-d-glucopyranosyl-(1-4)-bet+Formula:
C41H64O14Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45690
Formula: C28H42O6
Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
