Glycoside
...
GD030513

Name:
None

Formula:
C45H71O17N

Smiles:
CCCC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H]3OC)[C@@H](OC(C)=O)[C@H]2N(C)C)C[C@]1(C)O

Aglycone:
CCCC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C1N(C)C

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 1 FractionCSP3: 0.78
AlogP: 3.91 Num_rotatable_bonds: 14
MolWt: 898.05 Num_heavy_atoms: 63
TPSA: 218.19 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01717
Formula: C24H36O9

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O
HBA: 9 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 468.54 Num_heavy_atoms: 33
TPSA: 125.43 NumAromaticRings: 0

Sugarmoiety
SD01990

CC(=O)OC1C(O)OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C1N(C)C