Glycoside
...
GD022961

Name:
None

Formula:
C43H67O17N

Smiles:
C=CCOC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@]3(C)OC(=O)O[C@H]3[C@@H](C)C(=O)[C@@H](C)C[C@](C)(OC)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]4[C@H]3OC(=O)N4C)[C@H]2C)C[C@]1(C)OC

Aglycone:
C=CCOC(=O)O.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 0 FractionCSP3: 0.84
AlogP: 5.5 Num_rotatable_bonds: 10
MolWt: 870.0 Num_heavy_atoms: 61
TPSA: 199.35 NumAromaticRings: 0

Unique Aglycone
AD01053
Formula: C4H6O3

Smiles:
C=CCOC(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.25
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 102.09 Num_heavy_atoms: 7
TPSA: 46.53 NumAromaticRings: 0
AD03204
Formula: C31H49O12N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.87
AlogP: 3.22 Num_rotatable_bonds: 4
MolWt: 627.73 Num_heavy_atoms: 44
TPSA: 156.36 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O