Glycoside
GD127421
Name:
Dammar-22-Ene-3,12,20,25-Tetrol; (3β,12β,20S,22E)-Form, 3-O-[β-D-Glucopyranosyl-(1->2)-β-D-Glucopyranoside], 20-O-[β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C54H92O24Smiles:
CC(C)(O)CC=CC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)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:
CC(C)(O)CC=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.96 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 16 |
| MolWt: | 1125.31 | Num_heavy_atoms: | 78 |
| TPSA: | 397.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51600
Formula: C30H52O4
Smiles:
CC(C)(O)CC=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| 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 |
