Glycoside
...
GD017531

Name:
None

Formula:
C52H78O18N2

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@@H]2OC(=O)N(CCc3ccccc3)[C@H]2C=C[C@H](OC(C)=O)[C@H](C)C[C@@H](CC=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H]1OC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)N(CCc3ccccc3)C2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 2 FractionCSP3: 0.73
AlogP: 4.21 Num_rotatable_bonds: 16
MolWt: 1019.19 Num_heavy_atoms: 72
TPSA: 241.66 NumAromaticRings: 1

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD12499
Formula: C34H47O11N

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)N(CCc3ccccc3)C2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.62
AlogP: 3.56 Num_rotatable_bonds: 9
MolWt: 645.75 Num_heavy_atoms: 46
TPSA: 154.97 NumAromaticRings: 1

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1