Glycoside
...
GD012839

Name:
None

Formula:
C59H94O16N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCCCNC(=O)c3ccc(OC)cc3)[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@H](C)CN(C)[C@H](C)[C@H](OC(=O)NCc2ccc(F)cc2)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(F)cc2)C1(C)O.COc1ccc(C(=O)NCCCCNC(=O)O)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 6 FractionCSP3: 0.73
AlogP: 5.93 Num_rotatable_bonds: 18
MolWt: 1148.42 Num_heavy_atoms: 81
TPSA: 254.61 NumAromaticRings: 2

Unique Aglycone
AD01241
Formula: C13H18O4N2

Smiles:
COc1ccc(C(=O)NCCCCNC(=O)O)cc1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.38
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 266.3 Num_heavy_atoms: 19
TPSA: 87.66 NumAromaticRings: 1
AD03540
Formula: C38H64O10N3F

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(F)cc2)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 3.05 Num_rotatable_bonds: 7
MolWt: 741.94 Num_heavy_atoms: 52
TPSA: 170.49 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O