Glycoside
...
GD122669

Name:
Saccharosacrin B

Formula:
C68H103O20N

Smiles:
CCCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CC(O)C(OC6CC(OC7CCC(O)C(C)O7)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O

Aglycone:
CC1OC(O)CCC1O.CCCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O

Sugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 7 FractionCSP3: 0.81
AlogP: 7.83 Num_rotatable_bonds: 13
MolWt: 1254.56 Num_heavy_atoms: 89
TPSA: 289.64 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
AD49453
Formula: C44H63O9N

Smiles:
CCCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.7
AlogP: 7.28 Num_rotatable_bonds: 5
MolWt: 749.99 Num_heavy_atoms: 54
TPSA: 155.11 NumAromaticRings: 0

Sugarmoiety
SD00231

CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1O