Glycoside
...
GD149832

Name:
4-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-7-hydroxy-1-(1-phenylcyclohexyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C45H49O12N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 9 FractionCSP3: 0.4
AlogP: 3.53 Num_rotatable_bonds: 11
MolWt: 823.9 Num_heavy_atoms: 60
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD59892
Formula: C39H39O6N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.31
AlogP: 6.73 Num_rotatable_bonds: 8
MolWt: 645.76 Num_heavy_atoms: 48
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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