Glycoside
GD125842
Name:
Dammar-24-Ene-3,6,12,20-Tetrol; (3β,6α,12β,20S)-Form, 6-O-[2-Butenoyl-(->6)-β-D-Glucopyranoside], 20-O-β-D-GlucopyranosideFormula:
C46H76O15Smiles:
CC=CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C.CC=CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 869.1 | Num_heavy_atoms: | 61 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00144
Formula: C30H52O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD02571
Formula: C5H8O2
Smiles:
CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
