Glycoside
...
GD003953

Name:
None

Formula:
C56H85O12N6F

Smiles:
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@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc(F)ccc54)nn3)cc2)[C@H](C)[C@H](O)[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(Cc2ccc(-c3cn(CCn4ccc5cc(F)ccc54)nn3)cc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.7
AlogP: 5.52 Num_rotatable_bonds: 13
MolWt: 1053.32 Num_heavy_atoms: 75
TPSA: 215.72 NumAromaticRings: 4

Unique Aglycone
AD03518
Formula: C48H71O9N6F

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(Cc2ccc(-c3cn(CCn4ccc5cc(F)ccc54)nn3)cc2)C(C)C(O)C1(C)O
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.65
AlogP: 4.6 Num_rotatable_bonds: 10
MolWt: 895.13 Num_heavy_atoms: 64
TPSA: 188.03 NumAromaticRings: 4

Sugarmoiety
SD00005

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