Glycoside
...
GD024714

Name:
None

Formula:
C36H57O9N

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](CO)[C@H](O)[C@@H](O)[C@@H]6NC(=O)[C@H](C)O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.92
AlogP: 3.04 Num_rotatable_bonds: 5
MolWt: 647.85 Num_heavy_atoms: 46
TPSA: 146.94 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
AD16469
Formula: C3H7O2N

Smiles:
CC(O)C(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: -1.15 Num_rotatable_bonds: 1
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 63.32 NumAromaticRings: 0

Sugarmoiety
SD00003

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