Glycoside
...
GD130745

Name:
None

Formula:
C38H35O12N2

Smiles:
Cc1cc(C)cc(C2=C3[NH+]=CC=C3CN2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(COC(=O)CC(=O)O)C(O)C2O)c1

Aglycone:
COC(=O)CC(=O)O.Cc1cc(C)cc(C2=C3[NH+]=CC=C3CN2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.26
AlogP: 1.7 Num_rotatable_bonds: 10
MolWt: 711.7 Num_heavy_atoms: 52
TPSA: 199.4 NumAromaticRings: 4

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD46047
Formula: C14H15ON2

Smiles:
Cc1cc(C)cc(C2=C3[NH+]=CC=C3CN2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 227.29 Num_heavy_atoms: 17
TPSA: 37.44 NumAromaticRings: 1

Sugarmoiety
SD00017

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