Glycoside
...
GD016864

Name:
None

Formula:
C49H79O21N3

Smiles:
CCCCCCCCCCCCCC(=O)NCCNC(=O)C(C)(C)C(=O)NCCO[C@@H]1O[C@H](COC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCCCCCCCCCCCCC(=O)NCCNC(=O)C(C)(C)C(=O)NCCO.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 2
HBD: 3 FractionCSP3: 0.8
AlogP: 2.7 Num_rotatable_bonds: 32
MolWt: 1046.17 Num_heavy_atoms: 73
TPSA: 308.32 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD12090
Formula: C23H45O4N3

Smiles:
CCCCCCCCCCCCCC(=O)NCCNC(=O)C(C)(C)C(=O)NCCO
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.87
AlogP: 3.05 Num_rotatable_bonds: 19
MolWt: 427.63 Num_heavy_atoms: 30
TPSA: 107.53 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O