Glycoside
...
GD004958

Name:
None

Formula:
C42H60O22

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](COC(=O)CO[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 0 FractionCSP3: 0.83
AlogP: 1.87 Num_rotatable_bonds: 14
MolWt: 916.92 Num_heavy_atoms: 64
TPSA: 257.94 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD04263
Formula: C18H28O7

Smiles:
COC(=O)COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3
HBA: 7 RingCount: 5
HBD: 0 FractionCSP3: 0.94
AlogP: 2.38 Num_rotatable_bonds: 3
MolWt: 356.42 Num_heavy_atoms: 25
TPSA: 72.45 NumAromaticRings: 0

Sugarmoiety
SD00932

CC(=O)OC1C(C)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O