Glycoside
...
GD123051

Name:
Dennstoside B

Formula:
C32H40O12

Smiles:
CC(=O)OC1C(OC23C=C(C)C4(CC4)C(C)(O)C2C(=O)C(C)(CO)C3)OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C1O

Aglycone:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.59
AlogP: 1.16 Num_rotatable_bonds: 8
MolWt: 616.66 Num_heavy_atoms: 44
TPSA: 189.28 NumAromaticRings: 1

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD49634
Formula: C15H22O4

Smiles:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.8
AlogP: 0.8 Num_rotatable_bonds: 1
MolWt: 266.34 Num_heavy_atoms: 19
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00313

CC(=O)OC1C(O)OC(CO)C(O)C1O