Glycoside
...
GD130724

Name:
None

Formula:
C44H74O12

Smiles:
CC(CCC(=O)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

Aglycone:
COC(=O)CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 8 FractionCSP3: 0.98
AlogP: 3.45 Num_rotatable_bonds: 8
MolWt: 795.06 Num_heavy_atoms: 56
TPSA: 206.6 NumAromaticRings: 0

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD52968
Formula: C33H56O2

Smiles:
COC(=O)CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
HBA: 2 RingCount: 5
HBD: 0 FractionCSP3: 0.97
AlogP: 9.07 Num_rotatable_bonds: 4
MolWt: 484.81 Num_heavy_atoms: 35
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O