Glycoside
GD018128
Name:
NoneFormula:
C55H81O10N2Smiles:
CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)CCCCCC[n+]3ccc4ccccc4c3)[C@H](C)O2)[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(OC2CCC(N(C)CCCCCC[n+]3ccc4ccccc4c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 8.56 | Num_rotatable_bonds: | 16 |
| MolWt: | 930.26 | Num_heavy_atoms: | 67 |
| TPSA: | 115.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD12845
Formula: C46H65O6N2
Smiles:
CCC1CCCC(OC2CCC(N(C)CCCCCC[n+]3ccc4ccccc4c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 8 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 7.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.03 | Num_heavy_atoms: | 54 |
| TPSA: | 89.18 | NumAromaticRings: | 2 |
