Glycoside
GD024015
Name:
ACANTHOPANAXOSIDE CFormula:
C40H62O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7C[C@@](C)(C(=O)O)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@H]5CC[C@H]4C3(C)C)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD16082
Formula: C29H44O5
Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
