Glycoside
...
GD032286

Name:
None

Formula:
C46H73O18N

Smiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](OC(=O)CCC(=O)O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O

Aglycone:
CC(C)CC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(=O)CCC(=O)O)C(C)CC(CC=O)C1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: 3.43 Num_rotatable_bonds: 16
MolWt: 928.08 Num_heavy_atoms: 65
TPSA: 249.42 NumAromaticRings: 0

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD20716
Formula: C26H38O11

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(=O)CCC(=O)O)C(C)CC(CC=O)C1O
HBA: 11 RingCount: 1
HBD: 2 FractionCSP3: 0.65
AlogP: 2.14 Num_rotatable_bonds: 8
MolWt: 526.58 Num_heavy_atoms: 37
TPSA: 162.73 NumAromaticRings: 0

Sugarmoiety
SD00067

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