Glycoside
...
GD145936

Name:
1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

Formula:
C28H32O11N2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.46
AlogP: 0.0 Num_rotatable_bonds: 8
MolWt: 572.57 Num_heavy_atoms: 41
TPSA: 200.36 NumAromaticRings: 2

Unique Aglycone
AD58547
Formula: C22H22O6N2

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.32
AlogP: 2.18 Num_rotatable_bonds: 5
MolWt: 410.43 Num_heavy_atoms: 30
TPSA: 121.21 NumAromaticRings: 2

Sugarmoiety
SD00003

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