Glycoside
...
GD151592

Name:
None

Formula:
C32H56O14N2

Smiles:
CNC(C(=O)OC(COC(=O)C(O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(COC(=O)C(O)C(C)C)OC(=O)C(NC)C(C)C)C(C)C

Aglycone:
CC(C)C(O)C=O.CC(C)C(O)C=O.CNC(C=O)C(C)C.CNC(C=O)C(C)C

Sugarmoiety:
CC(=O)OC(C(COO)OO)C(OC(C)=O)C(COO)OO

Other Identifiers

Properties
HBA: 16 RingCount: 0
HBD: 4 FractionCSP3: 0.81
AlogP: 0.28 Num_rotatable_bonds: 21
MolWt: 692.8 Num_heavy_atoms: 48
TPSA: 222.32 NumAromaticRings: 0

Unique Aglycone
AD46500
Formula: C5H10O2

Smiles:
CC(C)C(O)C=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 0.2 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD60441
Formula: C6H13ON

Smiles:
CNC(C=O)C(C)C
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 0.43 Num_rotatable_bonds: 3
MolWt: 115.18 Num_heavy_atoms: 8
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD04278

CC(=O)OC(C(COO)OO)C(OC(C)=O)C(COO)OO