Glycoside
...
GD038707

Name:
M-4209

Formula:
C42H67O16N

Smiles:
CO[C@H]1[C@@H](OC(C)=O)CC(=O)O[C@@H](C)C[C@H]2O[C@@H]2C=CC(=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)CC2OC2C=CC(=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: 17 RingCount: 4
HBD: 2 FractionCSP3: 0.83
AlogP: 2.43 Num_rotatable_bonds: 12
MolWt: 841.99 Num_heavy_atoms: 59
TPSA: 215.42 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
AD00768
Formula: C22H32O9

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1O
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.73
AlogP: 1.14 Num_rotatable_bonds: 4
MolWt: 440.49 Num_heavy_atoms: 31
TPSA: 128.73 NumAromaticRings: 0

Sugarmoiety
SD00067

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