Glycoside
...
GD140959

Name:
Markhamioside D

Formula:
C36H46O20

Smiles:
CC(=O)OCC1OC(COCc2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1OC(=O)C=Cc1ccc(O)c(O)c1

Aglycone:
COC(C)=O.COCc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 10 FractionCSP3: 0.56
AlogP: -1.98 Num_rotatable_bonds: 13
MolWt: 798.74 Num_heavy_atoms: 56
TPSA: 310.28 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
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
AD56826
Formula: C8H10O3

Smiles:
COCc1ccc(O)c(O)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.24 Num_rotatable_bonds: 2
MolWt: 154.16 Num_heavy_atoms: 11
TPSA: 49.69 NumAromaticRings: 1

Sugarmoiety
SD06687

CC1OC(OC2C(O)C(O)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O