Glycoside
...
GD025182

Name:
None

Formula:
C37H58O9N2

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

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 5 FractionCSP3: 0.89
AlogP: 2.8 Num_rotatable_bonds: 6
MolWt: 674.88 Num_heavy_atoms: 48
TPSA: 155.81 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
AD01276
Formula: C4H8O2N2

Smiles:
CC(=O)NCC(N)=O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: -1.39 Num_rotatable_bonds: 2
MolWt: 116.12 Num_heavy_atoms: 8
TPSA: 72.19 NumAromaticRings: 0

Sugarmoiety
SD00003

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