Glycoside
...
GD119313

Name:
Premnoside B

Formula:
C39H44O19

Smiles:
CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(=O)C=Cc2ccc(O)cc2)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)cc1.OCC12OC1C(O)C1C=COC(O)C12

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 9 FractionCSP3: 0.49
AlogP: -1.09 Num_rotatable_bonds: 12
MolWt: 816.76 Num_heavy_atoms: 58
TPSA: 293.35 NumAromaticRings: 2

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
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD04913
Formula: C9H12O5

Smiles:
OCC12OC1C(O)C1C=COC(O)C12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: -1.41 Num_rotatable_bonds: 1
MolWt: 200.19 Num_heavy_atoms: 14
TPSA: 82.45 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O