Glycoside
GD149048
Name:
Dammar-25-Ene-3,12,20,24-Tetrol; (3β,12β,20S,24ζ)-Form, 24-Ketone, 3-O-[β-D-Glucopyranosyl-(1->2)-β-D-Glucopyranoside], 20-β-D-GlucopyranosideFormula:
C48H80O19Smiles:
C=C(C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
C=C(C)C(=O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 14 |
| MolWt: | 961.15 | Num_heavy_atoms: | 67 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51579
Formula: C30H50O4
Smiles:
C=C(C)C(=O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
