Glycoside
...
GD109540

Name:
None

Formula:
C29H31O15N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 2 FractionCSP3: 0.41
AlogP: 2.28 Num_rotatable_bonds: 12
MolWt: 633.56 Num_heavy_atoms: 45
TPSA: 224.33 NumAromaticRings: 2

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
AD44550
Formula: C15H13O6N

Smiles:
O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.13
AlogP: 2.53 Num_rotatable_bonds: 5
MolWt: 303.27 Num_heavy_atoms: 22
TPSA: 120.9 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O