Glycoside
...
GD136392

Name:
Cesdiurin Ii

Formula:
C46H76O20

Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C

Aglycone:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -2.23 Num_rotatable_bonds: 14
MolWt: 949.09 Num_heavy_atoms: 66
TPSA: 316.6 NumAromaticRings: 0

Unique Aglycone
AD14283
Formula: C28H46O5

Smiles:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 4.29 Num_rotatable_bonds: 5
MolWt: 462.67 Num_heavy_atoms: 33
TPSA: 79.15 NumAromaticRings: 0

Sugarmoiety
SD00106

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O