Glycoside

GD036137
Name:
NoneFormula:
C49H90O14N2Smiles:
CCCCCCCC(=O)NCCCO[C@@H]1[C@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@]1(C)OAglycone:
CCCCCCCC(=O)NCCCOC1C(C)C(=O)C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.94 |
AlogP: | 5.33 | Num_rotatable_bonds: | 19 |
MolWt: | 931.26 | Num_heavy_atoms: | 65 |
TPSA: | 201.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD22820
Formula: C41H76O11N2
Smiles:
CCCCCCCC(=O)NCCCOC1C(C)C(=O)C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)OHBA: | 13 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.93 |
AlogP: | 4.41 | Num_rotatable_bonds: | 16 |
MolWt: | 773.06 | Num_heavy_atoms: | 54 |
TPSA: | 173.32 | NumAromaticRings: | 0 |