Glycoside
GD022866
Name:
NoneFormula:
C44H56O11Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)C=Cc5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1OAglycone:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 760.92 | Num_heavy_atoms: | 55 |
| TPSA: | 161.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD05197
Formula: C37H44O8
Smiles:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.75 | Num_heavy_atoms: | 45 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
