Glycoside
...
GD151939

Name:
3-({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:
C42H45O12N3

Smiles:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 9 FractionCSP3: 0.4
AlogP: 2.58 Num_rotatable_bonds: 10
MolWt: 783.83 Num_heavy_atoms: 57
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD60546
Formula: C36H35O6N3

Smiles:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.31
AlogP: 5.79 Num_rotatable_bonds: 7
MolWt: 605.69 Num_heavy_atoms: 45
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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