Glycoside
...
GD004808

Name:
None

Formula:
C25H25O15N

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](C(=O)OCCO[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1.O=COCCO[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 4 FractionCSP3: 0.36
AlogP: 0.12 Num_rotatable_bonds: 10
MolWt: 579.47 Num_heavy_atoms: 41
TPSA: 226.72 NumAromaticRings: 3

Unique Aglycone
AD00146
Formula: C17H14O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.89 Num_rotatable_bonds: 3
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 89.13 NumAromaticRings: 3
AD04155
Formula: C3H5O5N

Smiles:
O=COCCO[N+](=O)[O-]
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: -0.63 Num_rotatable_bonds: 5
MolWt: 135.07 Num_heavy_atoms: 9
TPSA: 78.67 NumAromaticRings: 0

Sugarmoiety
SD00017

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