Glycoside
...
GD033026

Name:
None

Formula:
C53H84O12N7Cl

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)Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[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)Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 6 FractionCSP3: 0.77
AlogP: 4.77 Num_rotatable_bonds: 14
MolWt: 1034.73 Num_heavy_atoms: 72
TPSA: 235.71 NumAromaticRings: 3

Unique Aglycone
AD21110
Formula: C45H70O9N7Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.73
AlogP: 3.84 Num_rotatable_bonds: 11
MolWt: 876.54 Num_heavy_atoms: 61
TPSA: 208.02 NumAromaticRings: 3

Sugarmoiety
SD00005

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