Glycoside
...
GD149057

Name:
bethoside b

Formula:
C45H76O19

Smiles:
CC(CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -2.22 Num_rotatable_bonds: 15
MolWt: 921.08 Num_heavy_atoms: 64
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD14263
Formula: C27H46O4

Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 6
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00069

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