Glycoside
...
GD018643

Name:
None

Formula:
C39H63O9N

Smiles:
CCOC(=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@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)O)CC[C@]23C)C1(C)C

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CCOC(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.9
AlogP: 5.81 Num_rotatable_bonds: 6
MolWt: 689.93 Num_heavy_atoms: 49
TPSA: 154.78 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD13118
Formula: C3H7O2N

Smiles:
CCOC(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.1 Num_rotatable_bonds: 1
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 52.32 NumAromaticRings: 0

Sugarmoiety
SD00003

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