Glycoside
...
GD157823

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

Formula:
C42H47O12N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.4
AlogP: 2.97 Num_rotatable_bonds: 12
MolWt: 785.85 Num_heavy_atoms: 57
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD62357
Formula: C36H37O6N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.31
AlogP: 6.18 Num_rotatable_bonds: 9
MolWt: 607.71 Num_heavy_atoms: 45
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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