Glycoside
...
GD015797

Name:
None

Formula:
C44H66O20

Smiles:
CO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 8 FractionCSP3: 0.89
AlogP: -1.49 Num_rotatable_bonds: 12
MolWt: 914.99 Num_heavy_atoms: 64
TPSA: 296.12 NumAromaticRings: 0

Unique Aglycone
AD01563
Formula: C23H32O5

Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 2.78 Num_rotatable_bonds: 2
MolWt: 388.5 Num_heavy_atoms: 28
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD02028

COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=O