Glycoside
...
GD031161

Name:
None

Formula:
C45H78O13N2

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)C)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](OCc2ccncc2)[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(C)C)C2O)C(C)(O)CC(C)C(OCc2ccncc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 3.98 Num_rotatable_bonds: 11
MolWt: 855.12 Num_heavy_atoms: 60
TPSA: 198.96 NumAromaticRings: 1

Unique Aglycone
AD20095
Formula: C37H64O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCc2ccncc2)C(C)C(O)C1(C)O
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.84
AlogP: 3.05 Num_rotatable_bonds: 8
MolWt: 696.92 Num_heavy_atoms: 49
TPSA: 171.27 NumAromaticRings: 1

Sugarmoiety
SD00005

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