Glycoside
...
GD013417

Name:
None

Formula:
C47H39O12N

Smiles:
COc1cc([C@@H]2O[C@H](CNC(=O)c3ccccc3C(=O)O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12

Aglycone:
CNC(=O)c1ccccc1C(=O)O.COc1ccc(OC)c2ccccc12.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 2 FractionCSP3: 0.17
AlogP: 7.1 Num_rotatable_bonds: 13
MolWt: 809.82 Num_heavy_atoms: 60
TPSA: 172.99 NumAromaticRings: 6

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD04773
Formula: C12H12O2

Smiles:
COc1ccc(OC)c2ccccc12
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.17
AlogP: 2.86 Num_rotatable_bonds: 2
MolWt: 188.23 Num_heavy_atoms: 14
TPSA: 18.46 NumAromaticRings: 2
AD06389
Formula: C9H9O3N

Smiles:
CNC(=O)c1ccccc1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.74 Num_rotatable_bonds: 2
MolWt: 179.17 Num_heavy_atoms: 13
TPSA: 66.4 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O