Glycoside
...
GD127252

Name:
Anthenoside C

Formula:
C42H70O15

Smiles:
C=C(CCC(C)C1C(OC2OC(C(O)COC)C(OC3OC(C(O)COC)C(O)C3O)C2O)CC2=C3C(O)C(O)C4C(O)C(O)CCC4(C)C3CCC21C)C(C)C

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

Sugarmoiety:
COCC(O)C1OOOC1O.COCO.OC(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 9 FractionCSP3: 0.9
AlogP: 0.54 Num_rotatable_bonds: 15
MolWt: 815.01 Num_heavy_atoms: 57
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
AD51525
Formula: C28H46O5

Smiles:
C=C(CCC(C)C1C(O)CC2=C3C(O)C(O)C4C(O)C(O)CCC4(C)C3CCC21C)C(C)C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.86
AlogP: 3.58 Num_rotatable_bonds: 5
MolWt: 462.67 Num_heavy_atoms: 33
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD01812

COCC(O)C1OOOC1O.COCO.OC(O)O