Glycoside
GD032039
Name:
NoneFormula:
C45H71O13NSmiles:
CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)C(O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](OC(N)=O)[C@H](OC(C)=O)[C@H](C)O2)C=C[C@H](C)C[C@H]1CAglycone:
CCC(=O)C(C)C(OC(C)=O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)CC1CSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC(N)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 834.06 | Num_heavy_atoms: | 59 |
| TPSA: | 196.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD20579
Formula: C36H58O8
Smiles:
CCC(=O)C(C)C(OC(C)=O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)CC1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
