Glycoside
...
GD157862

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-{2-[(1H-pyrrol-2-yl)amino]ethyl}-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:
C48H54O12N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 13 FractionCSP3: 0.4
AlogP: 2.5 Num_rotatable_bonds: 14
MolWt: 906.99 Num_heavy_atoms: 66
TPSA: 300.2 NumAromaticRings: 5

Unique Aglycone
AD62368
Formula: C42H44O6N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O
HBA: 12 RingCount: 8
HBD: 9 FractionCSP3: 0.31
AlogP: 5.71 Num_rotatable_bonds: 11
MolWt: 728.85 Num_heavy_atoms: 54
TPSA: 200.82 NumAromaticRings: 5

Sugarmoiety
SD00999

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