Glycoside
...
GD139067

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

Formula:
C49H52O13N6

Smiles:
NC1CCCC1(c1ccccc1)C1C=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2nc[nH]c2CC(C=O)Nc2ccc[nH]2)c1

Aglycone:
NC1CCCC1(c1ccccc1)C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2nc[nH]c2CC(C=O)Nc2ccc[nH]2)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 13 FractionCSP3: 0.35
AlogP: 2.06 Num_rotatable_bonds: 15
MolWt: 932.98 Num_heavy_atoms: 68
TPSA: 317.27 NumAromaticRings: 5

Unique Aglycone
AD56086
Formula: C43H42O7N6

Smiles:
NC1CCCC1(c1ccccc1)C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2nc[nH]c2CC(C=O)Nc2ccc[nH]2)c1
HBA: 13 RingCount: 8
HBD: 9 FractionCSP3: 0.26
AlogP: 5.27 Num_rotatable_bonds: 12
MolWt: 754.84 Num_heavy_atoms: 56
TPSA: 217.89 NumAromaticRings: 5

Sugarmoiety
SD00999

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