Glycoside
...
GD008017

Name:
None

Formula:
C36H53O10N

Smiles:
CC=CC=C[C@@H]1O[C@](O)([C@H](C)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)[C@H](O)[C@H](O)C1(C)C

Aglycone:
C=CC=CC.CCC(=O)NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.56
AlogP: 3.13 Num_rotatable_bonds: 15
MolWt: 659.82 Num_heavy_atoms: 47
TPSA: 175.01 NumAromaticRings: 0

Unique Aglycone
AD00163
Formula: C5H8

Smiles:
C=CC=CC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.2
AlogP: 1.75 Num_rotatable_bonds: 1
MolWt: 68.12 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD06452
Formula: C24H35O6N

Smiles:
CCC(=O)NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: 2.94 Num_rotatable_bonds: 12
MolWt: 433.55 Num_heavy_atoms: 31
TPSA: 105.09 NumAromaticRings: 0

Sugarmoiety
SD01314

CC1(C)C(O)OC(O)(O)C(O)C1O