Glycoside
...
GD154309

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}-6-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

Formula:
C28H34O12N2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.5
AlogP: -0.45 Num_rotatable_bonds: 8
MolWt: 590.58 Num_heavy_atoms: 42
TPSA: 220.26 NumAromaticRings: 2

Unique Aglycone
AD52324
Formula: C22H24O7N2

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.36
AlogP: 1.73 Num_rotatable_bonds: 5
MolWt: 428.44 Num_heavy_atoms: 31
TPSA: 141.11 NumAromaticRings: 2

Sugarmoiety
SD00003

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