Glycoside
...
GD015670

Name:
None

Formula:
C45H73O16N

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

Aglycone:
CC(C)CC(=O)O.CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 2 FractionCSP3: 0.8
AlogP: 3.97 Num_rotatable_bonds: 14
MolWt: 884.07 Num_heavy_atoms: 62
TPSA: 212.12 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
AD06806
Formula: C25H38O9

Smiles:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C
HBA: 9 RingCount: 1
HBD: 1 FractionCSP3: 0.68
AlogP: 2.69 Num_rotatable_bonds: 6
MolWt: 482.57 Num_heavy_atoms: 34
TPSA: 125.43 NumAromaticRings: 0

Sugarmoiety
SD00067

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