Glycoside
...
GD024579

Name:
None

Formula:
C54H87O12N6Cl

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(CCCCc2cn(CCn3ccc4cc(Cl)ccc43)nn2)[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(CCCCc2cn(CCn3ccc4cc(Cl)ccc43)nn2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 5 FractionCSP3: 0.79
AlogP: 5.19 Num_rotatable_bonds: 15
MolWt: 1035.76 Num_heavy_atoms: 72
TPSA: 215.72 NumAromaticRings: 3

Unique Aglycone
AD16385
Formula: C46H73O9N6Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(Cl)ccc43)nn2)C(C)C(O)C1(C)O
HBA: 15 RingCount: 5
HBD: 5 FractionCSP3: 0.76
AlogP: 4.27 Num_rotatable_bonds: 12
MolWt: 877.56 Num_heavy_atoms: 61
TPSA: 188.03 NumAromaticRings: 3

Sugarmoiety
SD00005

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