Glycoside
...
GD108536

Name:
None

Formula:
C28H29O15N

Smiles:
CC(=O)OC[C@H]1O[C@H](Oc2cc(O)c(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Cc1ccc([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: 0.39
AlogP: 1.89 Num_rotatable_bonds: 11
MolWt: 619.53 Num_heavy_atoms: 44
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
AD44442
Formula: C14H11O6N

Smiles:
O=C(Cc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.14 Num_rotatable_bonds: 4
MolWt: 289.24 Num_heavy_atoms: 21
TPSA: 120.9 NumAromaticRings: 2

Sugarmoiety
SD00012

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