Glycoside
...
GD128579

Name:
1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-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:
C43H49O12N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.42
AlogP: 3.36 Num_rotatable_bonds: 12
MolWt: 799.87 Num_heavy_atoms: 58
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD52081
Formula: C37H39O6N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1O
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.32
AlogP: 6.57 Num_rotatable_bonds: 9
MolWt: 621.73 Num_heavy_atoms: 46
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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