Glycoside
...
GD126286

Name:
K 41B

Formula:
C54H92O20

Smiles:
CCC1C(O)C(O)(C(O)C(=O)O)OC(CC2CC(OC)C(C)C3(O2)OC(C)(C2CCC(C4CCC(C5OC(C)(O)C(C)C(OC6CCC(OC)C(C)O6)C5C)O4)O2)C(OC2CCC(OC)C(C)O2)C3C)C1(C)OC

Aglycone:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC5CCC(OC)C(C)O5)O4)O3)OC(C)(O)C2C)OC1C.O=C(O)CO

Sugarmoiety:
CCC1C(O)C(O)(O)OC(O)C1(C)OC

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 5 FractionCSP3: 0.98
AlogP: 4.59 Num_rotatable_bonds: 16
MolWt: 1061.31 Num_heavy_atoms: 74
TPSA: 247.44 NumAromaticRings: 0

Unique Aglycone
AD02329
Formula: C2H4O3

Smiles:
O=C(O)CO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.94 Num_rotatable_bonds: 1
MolWt: 76.05 Num_heavy_atoms: 5
TPSA: 57.53 NumAromaticRings: 0
AD51091
Formula: C43H74O13

Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC5CCC(OC)C(C)O5)O4)O3)OC(C)(O)C2C)OC1C
HBA: 13 RingCount: 7
HBD: 1 FractionCSP3: 1.0
AlogP: 5.89 Num_rotatable_bonds: 10
MolWt: 799.05 Num_heavy_atoms: 56
TPSA: 130.99 NumAromaticRings: 0

Sugarmoiety
SD06599

CCC1C(O)C(O)(O)OC(O)C1(C)OC