Glycoside
...
GD020806

Name:
None

Formula:
C43H61O8N

Smiles:
Cc1ccc(C=CC(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)cc1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cc1ccc(C=CC(N)=O)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 8
HBD: 4 FractionCSP3: 0.74
AlogP: 5.68 Num_rotatable_bonds: 6
MolWt: 719.96 Num_heavy_atoms: 52
TPSA: 126.71 NumAromaticRings: 1

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD11873
Formula: C10H11ON

Smiles:
Cc1ccc(C=CC(N)=O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00003

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