Glycoside
...
GD127931

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

Formula:
C40H43O11N3

Smiles:
O=C(O)C1C(CC2(c3ccccc3)CCCC2)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC2(c3ccccc3)CCCC2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.38
AlogP: 3.09 Num_rotatable_bonds: 11
MolWt: 741.79 Num_heavy_atoms: 54
TPSA: 226.13 NumAromaticRings: 4

Unique Aglycone
AD51823
Formula: C34H33O6N3

Smiles:
O=C(O)C1C(CC2(c3ccccc3)CCCC2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.26
AlogP: 5.62 Num_rotatable_bonds: 8
MolWt: 579.65 Num_heavy_atoms: 43
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00003

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