Glycoside
...
GD035053

Name:
None

Formula:
C21H39O14NP2

Smiles:
CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC[C@H](C)CCC=C(C)C)OC(CO)C(O)C1O[C@H](C)C(=O)O

Aglycone:
CC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)O.CC(O)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 6 FractionCSP3: 0.81
AlogP: 1.45 Num_rotatable_bonds: 16
MolWt: 591.48 Num_heavy_atoms: 38
TPSA: 227.61 NumAromaticRings: 0

Unique Aglycone
AD00056
Formula: C3H6O3

Smiles:
CC(O)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.55 Num_rotatable_bonds: 1
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 57.53 NumAromaticRings: 0
AD10594
Formula: C10H22O7P2

Smiles:
CC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: 2.99 Num_rotatable_bonds: 9
MolWt: 316.23 Num_heavy_atoms: 19
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O