Glycoside
...
GD153647

Name:
5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-3-[(1-phenylcyclohexyl)methyl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C41H45O12N3

Smiles:
O=C(O)C1C(CC2(c3ccccc3)CCCCC2)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.39
AlogP: 2.8 Num_rotatable_bonds: 11
MolWt: 771.82 Num_heavy_atoms: 56
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD58519
Formula: C35H35O6N3

Smiles:
O=C(O)C1C(CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.29
AlogP: 6.01 Num_rotatable_bonds: 8
MolWt: 593.68 Num_heavy_atoms: 44
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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