Glycoside
...
GD004623

Name:
None

Formula:
C55H86O18N2

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCc2ccccc2)C=C[C@H](OC(C)=O)[C@H](C)C[C@@H](CC=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(OC(C)=O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H]1OC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCc2ccccc2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC

Sugarmoiety:
CC(=O)OC1(C)CC(OC2C(C)OC(O)C(O)C2N(C)C)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 2 FractionCSP3: 0.75
AlogP: 4.65 Num_rotatable_bonds: 19
MolWt: 1063.29 Num_heavy_atoms: 75
TPSA: 241.66 NumAromaticRings: 1

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD04013
Formula: C35H53O10N

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCc2ccccc2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.66
AlogP: 3.42 Num_rotatable_bonds: 11
MolWt: 647.81 Num_heavy_atoms: 46
TPSA: 148.9 NumAromaticRings: 1

Sugarmoiety
SD00884

CC(=O)OC1(C)CC(OC2C(C)OC(O)C(O)C2N(C)C)OC(C)C1O