Glycoside
...
GD115606

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

Formula:
C45H49O13N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.4
AlogP: 3.23 Num_rotatable_bonds: 11
MolWt: 839.89 Num_heavy_atoms: 61
TPSA: 266.59 NumAromaticRings: 4

Unique Aglycone
AD45762
Formula: C39H39O7N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.31
AlogP: 6.44 Num_rotatable_bonds: 8
MolWt: 661.76 Num_heavy_atoms: 49
TPSA: 167.21 NumAromaticRings: 4

Sugarmoiety
SD00999

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