Glycoside
...
GD028120

Name:
None

Formula:
C41H45O20N

Smiles:
COc1cc(C=CC(=O)O[C@H]2[C@H](OC[C@@H]3O[C@H](Oc4cc5c(cc4O)C[C@H](C(=O)O)N5C(=O)C=Cc4ccc(O)c(OC)c4)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O

Aglycone:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O.COc1cc(C=CC(=O)O)ccc1O

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 10 FractionCSP3: 0.39
AlogP: -0.86 Num_rotatable_bonds: 14
MolWt: 871.8 Num_heavy_atoms: 62
TPSA: 321.36 NumAromaticRings: 3

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD02472
Formula: C19H17O7N

Smiles:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.16
AlogP: 1.87 Num_rotatable_bonds: 4
MolWt: 371.35 Num_heavy_atoms: 27
TPSA: 127.53 NumAromaticRings: 2

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O