Glycoside
...
GD016314

Name:
None

Formula:
C45H68O11N2

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]3[C@H]2OC(=NCc2ccccc2)N3C)[C@@](C)(OC)CC(C)=C2O[C@@]1(C)C=C2C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCc2ccccc2)N3C)C(C)(OC)CC(C)=C2OC1(C)C=C2C

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 1 FractionCSP3: 0.73
AlogP: 6.46 Num_rotatable_bonds: 9
MolWt: 813.04 Num_heavy_atoms: 58
TPSA: 135.97 NumAromaticRings: 1

Unique Aglycone
AD11765
Formula: C37H54O8N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCc2ccccc2)N3C)C(C)(OC)CC(C)=C2OC1(C)C=C2C
HBA: 10 RingCount: 5
HBD: 1 FractionCSP3: 0.68
AlogP: 5.53 Num_rotatable_bonds: 6
MolWt: 654.85 Num_heavy_atoms: 47
TPSA: 108.28 NumAromaticRings: 1

Sugarmoiety
SD00005

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