Glycoside
...
GD110851

Name:
None

Formula:
C34H35O11N

Smiles:
CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1ccccc1OCc1ccccc1.O=C(O)Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.32
AlogP: 3.3 Num_rotatable_bonds: 12
MolWt: 633.65 Num_heavy_atoms: 46
TPSA: 152.76 NumAromaticRings: 3

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
AD44521
Formula: C14H13O2N

Smiles:
NC(=O)c1ccccc1OCc1ccccc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.36 Num_rotatable_bonds: 4
MolWt: 227.26 Num_heavy_atoms: 17
TPSA: 52.32 NumAromaticRings: 2

Sugarmoiety
SD00013

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