Glycoside
...
GD000358

Name:
None

Formula:
C28H53O14N

Smiles:
CCCCCCCCOC1OC(COCC(O)CO)C(OCC(O)CO)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=O

Aglycone:
CCCCCCCCO.COCC(O)CO.OCC(O)CO

Sugarmoiety:
CC(=O)NC(O)OOC1OC(C)C(O)C(O)C1O.OCC(O)CO.OCO

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 8 FractionCSP3: 0.96
AlogP: -2.09 Num_rotatable_bonds: 20
MolWt: 627.73 Num_heavy_atoms: 43
TPSA: 226.09 NumAromaticRings: 0

Unique Aglycone
AD00023
Formula: C8H18O

Smiles:
CCCCCCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 2.34 Num_rotatable_bonds: 6
MolWt: 130.23 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 0
AD00404
Formula: C4H10O3

Smiles:
COCC(O)CO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.01 Num_rotatable_bonds: 3
MolWt: 106.12 Num_heavy_atoms: 7
TPSA: 49.69 NumAromaticRings: 0
AD00405
Formula: C3H8O3

Smiles:
OCC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.67 Num_rotatable_bonds: 2
MolWt: 92.09 Num_heavy_atoms: 6
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00149

CC(=O)NC(O)OOC1OC(C)C(O)C(O)C1O.OCC(O)CO.OCO