Glycoside
...
GD107853

Name:
None

Formula:
C32H47O14N

Smiles:
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC[C@@H]1O[C@@H]2O[C@]3(CCCCC3)O[C@@H]2[C@@H]2O[C@@]3(CCCCC3)O[C@H]12

Aglycone:
COC(C)=O.OCC1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 1 FractionCSP3: 0.88
AlogP: 1.9 Num_rotatable_bonds: 8
MolWt: 669.72 Num_heavy_atoms: 47
TPSA: 172.61 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
AD44247
Formula: C18H28O6

Smiles:
OCC1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 1.0
AlogP: 2.22 Num_rotatable_bonds: 1
MolWt: 340.42 Num_heavy_atoms: 24
TPSA: 66.38 NumAromaticRings: 0

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O