Glycoside
GD004191
Name:
NoneFormula:
C37H53O9NSmiles:
COc1ccc(OC)c([C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C(C)=O)c1Aglycone:
COc1ccc(OC)c(C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 655.83 | Num_heavy_atoms: | 47 |
| TPSA: | 143.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD03648
Formula: C29H40O4
Smiles:
COc1ccc(OC)c(C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)c1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.64 | Num_heavy_atoms: | 33 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
