Glycoside
...
GD141779

Name:
K-41

Formula:
C48H82O18

Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(O)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C

Aglycone:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C.O=C(O)CO

Sugarmoiety:
COC1C(C)C(O)(O)OC(O)C1(C)OC

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 4 FractionCSP3: 0.98
AlogP: 3.94 Num_rotatable_bonds: 14
MolWt: 947.17 Num_heavy_atoms: 66
TPSA: 217.98 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
AD57091
Formula: C37H64O11

Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C
HBA: 11 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 4.98 Num_rotatable_bonds: 8
MolWt: 684.91 Num_heavy_atoms: 48
TPSA: 112.53 NumAromaticRings: 0

Sugarmoiety
SD05716

COC1C(C)C(O)(O)OC(O)C1(C)OC