Glycoside
...
GD029914

Name:
None

Formula:
C66H110O26N2

Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)[C@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O)C[C@H](O)[C@@H]2C(=O)O

Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N)=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 3
HBD: 14 FractionCSP3: 0.74
AlogP: 0.35 Num_rotatable_bonds: 30
MolWt: 1347.59 Num_heavy_atoms: 94
TPSA: 422.55 NumAromaticRings: 0

Unique Aglycone
AD00702
Formula: C41H62O14

Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.61
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 254.9 NumAromaticRings: 0
AD02218
Formula: C19H40O9N2

Smiles:
NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N)=O
HBA: 11 RingCount: 0
HBD: 4 FractionCSP3: 0.95
AlogP: -1.05 Num_rotatable_bonds: 26
MolWt: 440.53 Num_heavy_atoms: 30
TPSA: 142.95 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O