Glycoside
...
GD016468

Name:
ACODONTASTEROSIDE G

Formula:
C39H66O14

Smiles:
C=C(CC[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)C[C@H](O)[C@@H]2[C@H](O)[C@H](O)CC[C@]21C)C(C)CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC

Aglycone:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO

Sugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 0.22 Num_rotatable_bonds: 11
MolWt: 758.94 Num_heavy_atoms: 53
TPSA: 228.22 NumAromaticRings: 0

Unique Aglycone
AD11844
Formula: C28H48O6

Smiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.63 Num_rotatable_bonds: 6
MolWt: 480.69 Num_heavy_atoms: 34
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00335

COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O