Glycoside
...
GD145580

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

Formula:
C37H39O12N3

Smiles:
O=C(O)C1C(CCc2ccccc2CO)c2cc(O)c(OC3OC(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)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 9 FractionCSP3: 0.32
AlogP: 1.31 Num_rotatable_bonds: 12
MolWt: 717.73 Num_heavy_atoms: 52
TPSA: 246.36 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
SD00003

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