Glycoside
GD021890
Name:
NoneFormula:
C41H67O11NSmiles:
CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)C1OC(=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](O)[C@H](C)O2)C=C[C@H](C)C[C@H]1CAglycone:
CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)CC1CSugarmoiety:
CC1OC(O)CC(OC(N)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 749.98 | Num_heavy_atoms: | 53 |
| TPSA: | 184.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD14897
Formula: C34H56O7
Smiles:
CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)CC1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.82 | Num_heavy_atoms: | 41 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
