Glycoside
GD003935
Name:
NoneFormula:
C40H64O10NSmiles:
CC[C@@H]1CCC[C@H](OC(=O)CCC[N+](C)(C)C)[C@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1Aglycone:
CCC1CCCC(OC(=O)CCC[N+](C)(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.95 | Num_heavy_atoms: | 51 |
| TPSA: | 115.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD03502
Formula: C31H48O6N
Smiles:
CCC1CCCC(OC(=O)CCC[N+](C)(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.73 | Num_heavy_atoms: | 38 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
