Glycoside
...
GD024081

Name:
None

Formula:
C47H75O16N

Smiles:
CC(=O)NC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

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

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: 9
HBD: 8 FractionCSP3: 0.94
AlogP: 1.39 Num_rotatable_bonds: 8
MolWt: 910.11 Num_heavy_atoms: 64
TPSA: 244.55 NumAromaticRings: 0

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
AD01019
Formula: C3H7ON

Smiles:
CNC(C)=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 0
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00896

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