Glycoside
...
GD136698

Name:
Cp 91244

Formula:
C51H86O18

Smiles:
COC1CCC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC6CCC(O)C(C)O6)C5OC)O4)O3)O2)OC1C

Aglycone:
CC1OC(O)CCC1O.CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C

Sugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.98
AlogP: 4.95 Num_rotatable_bonds: 13
MolWt: 987.23 Num_heavy_atoms: 69
TPSA: 228.98 NumAromaticRings: 0

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD02920
Formula: C36H62O10

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C
HBA: 10 RingCount: 6
HBD: 2 FractionCSP3: 1.0
AlogP: 5.24 Num_rotatable_bonds: 7
MolWt: 654.88 Num_heavy_atoms: 46
TPSA: 114.3 NumAromaticRings: 0

Sugarmoiety
SD01005

COC1C(O)OC(O)(CC(=O)O)C(C)C1O