Glycoside
GD014916
Name:
NoneFormula:
C55H93O10N2Smiles:
CCCCCCCCCCCC[N+]1(CCCC)CCN(CC(=O)O[C@@H]2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@H]4[C@H]5C[C@@H](O[C@@H]6O[C@H](C)[C@H](OC)[C@H](OC)[C@H]6OC)C[C@H]5C=C[C@@H]34)C(=O)[C@H]2C)CC1Aglycone:
CCCCCCCCCCCC[N+]1(CCCC)CCN(CC(=O)OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CC1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 9.41 | Num_rotatable_bonds: | 23 |
| MolWt: | 942.35 | Num_heavy_atoms: | 67 |
| TPSA: | 119.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD10916
Formula: C46H77O6N2
Smiles:
CCCCCCCCCCCC[N+]1(CCCC)CCN(CC(=O)OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 8.6 | Num_rotatable_bonds: | 18 |
| MolWt: | 754.13 | Num_heavy_atoms: | 54 |
| TPSA: | 93.14 | NumAromaticRings: | 0 |
