Glycoside
GD034668
Name:
3-O-(2-O-Beta-D-Glucopyranosyl)-(6-O-Methyl)-Beta-D-Glucuronopyranosyl-21,22-Di-O-Angeloy-R1-BarrigenolFormula:
C53H82O19Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 1023.22 | Num_heavy_atoms: | 72 |
| TPSA: | 297.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD04129
Formula: C40H62O8
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 670.93 | Num_heavy_atoms: | 48 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
