Glycoside
...
GD017521

Name:
None

Formula:
C48H80O15

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@H]4[C@@H]6[C@@H]7OC[C@@]6(CCC7(C)C)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 8 FractionCSP3: 1.0
AlogP: 2.77 Num_rotatable_bonds: 7
MolWt: 897.15 Num_heavy_atoms: 63
TPSA: 226.45 NumAromaticRings: 0

Unique Aglycone
AD04006
Formula: C30H50O2

Smiles:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3
HBA: 2 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 7.24 Num_rotatable_bonds: 0
MolWt: 442.73 Num_heavy_atoms: 32
TPSA: 29.46 NumAromaticRings: 0

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O