Glycoside
...
GD142197

Name:
2'-O-Trans-Sinapoylalangiside

Formula:
C36H41O14N

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21

Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21.COc1cc(C=CC(=O)O)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.44
AlogP: 1.69 Num_rotatable_bonds: 10
MolWt: 711.72 Num_heavy_atoms: 51
TPSA: 203.14 NumAromaticRings: 2

Unique Aglycone
AD03983
Formula: C11H12O5

Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.51 Num_rotatable_bonds: 4
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 1
AD16618
Formula: C19H21O5N

Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.42
AlogP: 1.88 Num_rotatable_bonds: 2
MolWt: 343.38 Num_heavy_atoms: 25
TPSA: 79.23 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O