Glycoside
...
GD121809

Name:
Anthenoside B

Formula:
C41H70O15

Smiles:
COCC(O)C1OC(OC2C(O)C(OC3CC4=C5C(O)C(O)C6C(O)C(O)CCC6(C)C5CCC4(C)C3C(C)CCCC(C)C)OC2C(O)COC)C(O)C1O

Aglycone:
CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4C(O)C(O)CCC4(C)C3CCC21C.COCCO.COCCO

Sugarmoiety:
COCC(O)C1OC(O)C(O)C1OOOC(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 0.37 Num_rotatable_bonds: 15
MolWt: 803.0 Num_heavy_atoms: 56
TPSA: 237.45 NumAromaticRings: 0

Unique Aglycone
AD00384
Formula: C3H8O2

Smiles:
COCCO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 29.46 NumAromaticRings: 0
AD49054
Formula: C27H46O5

Smiles:
CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4C(O)C(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 3.42 Num_rotatable_bonds: 5
MolWt: 450.66 Num_heavy_atoms: 32
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00966

COCC(O)C1OC(O)C(O)C1OOOC(O)O