Glycoside
...
GD153191

Name:
3-({1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-yl}methyl)-5-hydroxy-1-(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}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C49H54O13N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 13 FractionCSP3: 0.39
AlogP: 2.07 Num_rotatable_bonds: 15
MolWt: 935.0 Num_heavy_atoms: 68
TPSA: 317.27 NumAromaticRings: 5

Unique Aglycone
AD60945
Formula: C43H44O7N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O
HBA: 13 RingCount: 8
HBD: 9 FractionCSP3: 0.3
AlogP: 5.28 Num_rotatable_bonds: 12
MolWt: 756.86 Num_heavy_atoms: 56
TPSA: 217.89 NumAromaticRings: 5

Sugarmoiety
SD00999

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