Glycoside
...
GD018846

Name:
None

Formula:
C55H83O18N

Smiles:
COc1ccc(C(=O)NCCO[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CO)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6C7C[C@@H]8O[C@]9(CC[C@H](C)CO9)[C@H](C)[C@H]8[C@@]7(C)CC[C@H]65)C4)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)cc1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COc1ccc(C(=O)NCCO)cc1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 8 FractionCSP3: 0.84
AlogP: 2.7 Num_rotatable_bonds: 13
MolWt: 1046.26 Num_heavy_atoms: 74
TPSA: 263.01 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
AD12313
Formula: C10H13O3N

Smiles:
COc1ccc(C(=O)NCCO)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.3
AlogP: 0.42 Num_rotatable_bonds: 4
MolWt: 195.22 Num_heavy_atoms: 14
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O