Glycoside
...
GD142307

Name:
methyl 4-[(2-acetyl-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C28H37O12N

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2c(ccc(OC)c2O)CCN1C(C)=O

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2c(ccc(OC)c2O)CCN1C(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.57
AlogP: -0.12 Num_rotatable_bonds: 8
MolWt: 579.6 Num_heavy_atoms: 41
TPSA: 184.68 NumAromaticRings: 1

Unique Aglycone
AD57272
Formula: C22H27O7N

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2c(ccc(OC)c2O)CCN1C(C)=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 2.06 Num_rotatable_bonds: 5
MolWt: 417.46 Num_heavy_atoms: 30
TPSA: 105.53 NumAromaticRings: 1

Sugarmoiety
SD00003

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