Glycoside
...
GD021421

Name:
None

Formula:
C64H100O30

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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7OC(=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@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)C7OC7OC(CO)C(O)C(O)C7OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)CC56C)C3CC(C)(C)CC4

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

Other Identifiers

Properties
HBA: 30 RingCount: 18
HBD: 15 FractionCSP3: 0.92
AlogP: -3.32 Num_rotatable_bonds: 5
MolWt: 1349.47 Num_heavy_atoms: 94
TPSA: 465.42 NumAromaticRings: 0

Unique Aglycone
AD14653
Formula: C58H90O25

Smiles:
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC5C(=CCC6C5(C)CCC5C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)CC56C)C3CC(C)(C)CC4
HBA: 25 RingCount: 17
HBD: 12 FractionCSP3: 0.91
AlogP: -1.14 Num_rotatable_bonds: 2
MolWt: 1187.33 Num_heavy_atoms: 83
TPSA: 386.27 NumAromaticRings: 0

Sugarmoiety
SD00003

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