Glycoside
...
GD119672

Name:
3-({1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-yl}methyl)-5-hydroxy-1-(3-{4-hydroxy-3-[(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:
C42H46O12N4

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 11 FractionCSP3: 0.4
AlogP: 1.52 Num_rotatable_bonds: 10
MolWt: 798.85 Num_heavy_atoms: 58
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD47991
Formula: C36H36O6N4

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C(=O)O
HBA: 10 RingCount: 7
HBD: 7 FractionCSP3: 0.31
AlogP: 4.73 Num_rotatable_bonds: 7
MolWt: 620.71 Num_heavy_atoms: 46
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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