Glycoside

GD014463
Name:
FLURITHROMYCINFormula:
C37H66O13NFSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@](C)(F)C(=O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)(F)C(=O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.95 |
AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
MolWt: | 751.93 | Num_heavy_atoms: | 52 |
TPSA: | 193.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD10629
Formula: C29H52O10NF
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)(F)C(=O)C(C)C(O)C1(C)OHBA: | 11 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
MolWt: | 593.73 | Num_heavy_atoms: | 41 |
TPSA: | 166.22 | NumAromaticRings: | 0 |