Glycoside
...
GD005238

Name:
None

Formula:
C63H98O29

Smiles:
C[C@@H]1O[C@@H]2O[C@@H]3[C@H](OC[C@H](O)[C@H]3O)OC(=O)[C@@]34CCC5C(=CC[C@@H]6[C@@]5(C)CC[C@@H]5C(C)(C)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H]2O)C(O)[C@H]7O)[C@H](O)C[C@@]56C)[C@H]3CC(C)(C)CC4

Aglycone:
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC5C(=CCC6C5(C)CCC5C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C7O)C(O)CC56C)C3CC(C)(C)CC4

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

Other Identifiers

Properties
HBA: 29 RingCount: 19
HBD: 14 FractionCSP3: 0.92
AlogP: -2.68 Num_rotatable_bonds: 4
MolWt: 1319.45 Num_heavy_atoms: 92
TPSA: 445.19 NumAromaticRings: 0

Unique Aglycone
AD04478
Formula: C57H88O24

Smiles:
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC5C(=CCC6C5(C)CCC5C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C7O)C(O)CC56C)C3CC(C)(C)CC4
HBA: 24 RingCount: 19
HBD: 11 FractionCSP3: 0.91
AlogP: -0.5 Num_rotatable_bonds: 1
MolWt: 1157.31 Num_heavy_atoms: 81
TPSA: 366.04 NumAromaticRings: 0

Sugarmoiety
SD00003

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