Glycoside
...
GD009358

Name:
None

Formula:
C43H61O9N

Smiles:
COc1ccccc1C=CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@H](C)CO6)[C@H](C)[C@H]5[C@@]4(C)CC[C@H]32)C1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COc1ccccc1C=CC(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 8
HBD: 4 FractionCSP3: 0.74
AlogP: 5.38 Num_rotatable_bonds: 7
MolWt: 735.96 Num_heavy_atoms: 53
TPSA: 135.94 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
AD07341
Formula: C10H11O2N

Smiles:
COc1ccccc1C=CC(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.19 Num_rotatable_bonds: 3
MolWt: 177.2 Num_heavy_atoms: 13
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00003

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