Glycoside
...
GD139867

Name:
5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-3-{2-[2-(hydroxymethyl)phenyl]ethyl}-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C37H39O13N3

Smiles:
O=C(O)C1C(CCc2ccccc2CO)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(CCc2ccccc2CO)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: 16 RingCount: 6
HBD: 10 FractionCSP3: 0.32
AlogP: 0.63 Num_rotatable_bonds: 12
MolWt: 733.73 Num_heavy_atoms: 53
TPSA: 266.59 NumAromaticRings: 4

Unique Aglycone
AD56409
Formula: C31H29O7N3

Smiles:
O=C(O)C1C(CCc2ccccc2CO)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 10 RingCount: 5
HBD: 6 FractionCSP3: 0.19
AlogP: 3.84 Num_rotatable_bonds: 9
MolWt: 555.59 Num_heavy_atoms: 41
TPSA: 167.21 NumAromaticRings: 4

Sugarmoiety
SD00999

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