Glycoside
...
GD027722

Name:
None

Formula:
C44H71O16N

Smiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](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]1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C1N(C)C

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 2 FractionCSP3: 0.8
AlogP: 3.58 Num_rotatable_bonds: 13
MolWt: 870.04 Num_heavy_atoms: 61
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
AD04097
Formula: C22H34O8

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1O
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.68
AlogP: 1.72 Num_rotatable_bonds: 4
MolWt: 426.51 Num_heavy_atoms: 30
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD01990

CC(=O)OC1C(O)OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C1N(C)C