Glycoside
...
GD157001

Name:
None

Formula:
C18H29O16N3

Smiles:
C=CC(=O)OC1C(COC(=O)CC[NH+]([O-])O)OC(O)C(OC(=O)CC[NH+]([O-])O)C1OC(=O)CC[NH+]([O-])O

Aglycone:
C=CC(=O)O.COC(=O)CC[NH+]([O-])O.O=C(O)CC[NH+]([O-])O.O=C(O)CC[NH+]([O-])O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 1
HBD: 7 FractionCSP3: 0.67
AlogP: -6.35 Num_rotatable_bonds: 15
MolWt: 543.44 Num_heavy_atoms: 37
TPSA: 277.85 NumAromaticRings: 0

Unique Aglycone
AD24857
Formula: C3H4O2

Smiles:
C=CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: 0.26 Num_rotatable_bonds: 1
MolWt: 72.06 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD45879
Formula: C3H7O4N

Smiles:
O=C(O)CC[NH+]([O-])O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: -1.77 Num_rotatable_bonds: 3
MolWt: 121.09 Num_heavy_atoms: 8
TPSA: 85.03 NumAromaticRings: 0
AD47957
Formula: C4H9O4N

Smiles:
COC(=O)CC[NH+]([O-])O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: -1.68 Num_rotatable_bonds: 3
MolWt: 135.12 Num_heavy_atoms: 9
TPSA: 74.03 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O