Glycoside
...
GD108041

Name:
[3,4-bis(acetyloxy)-5-[4-(acetyloxy)benzamido]-6-[(2-phenylacetyl)oxy]oxan-2-yl]methyl acetate

Formula:
C29H31O12N

Smiles:
CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OC(C)=O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(C(N)=O)cc1.COC(C)=O.O=C(O)Cc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 1.65 Num_rotatable_bonds: 10
MolWt: 585.56 Num_heavy_atoms: 42
TPSA: 169.83 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00909
Formula: C8H8O2

Smiles:
O=C(O)Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD44233
Formula: C9H9O3N

Smiles:
CC(=O)Oc1ccc(C(N)=O)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.71 Num_rotatable_bonds: 2
MolWt: 179.17 Num_heavy_atoms: 13
TPSA: 69.39 NumAromaticRings: 1

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O