Glycoside
...
GD144475

Name:
None

Formula:
C39H36O14N2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(COC(=O)C(O)C(=O)O)C(O)C2(O)CO)c1

Aglycone:
COC(=O)C(O)C(=O)O.Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OCC1(O)C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 7 FractionCSP3: 0.26
AlogP: 2.41 Num_rotatable_bonds: 11
MolWt: 756.72 Num_heavy_atoms: 55
TPSA: 243.37 NumAromaticRings: 6

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
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD46046
Formula: C4H6O5

Smiles:
COC(=O)C(O)C(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -1.4 Num_rotatable_bonds: 2
MolWt: 134.09 Num_heavy_atoms: 9
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04574

OCC1(O)C(O)C(O)OC(O)C1O