Glycoside
...
GD142731

Name:
None

Formula:
C23H27O11N

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccc(CC[NH+]([O-])O)cc2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.[O-][NH+](O)CCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: -1.14 Num_rotatable_bonds: 9
MolWt: 493.47 Num_heavy_atoms: 35
TPSA: 193.64 NumAromaticRings: 2

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD44971
Formula: C8H11O3N

Smiles:
[O-][NH+](O)CCc1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: -0.29 Num_rotatable_bonds: 3
MolWt: 169.18 Num_heavy_atoms: 12
TPSA: 67.96 NumAromaticRings: 1

Sugarmoiety
SD00017

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