Glycoside
...
GD129484

Name:
1-{3-[3-(aziridine-1-carbonyl)-4-hydroxyphenyl]prop-2-enoyl}-5-hydroxy-3-(2-phenylethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C35H36O12N2

Smiles:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1

Aglycone:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.34
AlogP: 0.96 Num_rotatable_bonds: 10
MolWt: 676.68 Num_heavy_atoms: 49
TPSA: 217.53 NumAromaticRings: 3

Unique Aglycone
AD52451
Formula: C29H26O7N2

Smiles:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1
HBA: 9 RingCount: 5
HBD: 4 FractionCSP3: 0.21
AlogP: 3.49 Num_rotatable_bonds: 7
MolWt: 514.53 Num_heavy_atoms: 38
TPSA: 138.38 NumAromaticRings: 3

Sugarmoiety
SD00003

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