Glycoside
...
GD020673

Name:
None

Formula:
C54H79O16N

Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CNC(=O)C=Cc7ccccc7)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.CNC(=O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 8 FractionCSP3: 0.8
AlogP: 3.08 Num_rotatable_bonds: 10
MolWt: 998.22 Num_heavy_atoms: 71
TPSA: 244.55 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
AD14241
Formula: C10H11ON

Smiles:
CNC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00896

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