Glycoside
...
GD110113

Name:
None

Formula:
C32H29O15N

Smiles:
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1

Aglycone:
COC(=O)c1cccc(N)c1.COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 2 FractionCSP3: 0.22
AlogP: 2.82 Num_rotatable_bonds: 13
MolWt: 667.58 Num_heavy_atoms: 48
TPSA: 216.36 NumAromaticRings: 3

Unique Aglycone
AD44024
Formula: C8H9O2N

Smiles:
COC(=O)c1cccc(N)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.06 Num_rotatable_bonds: 1
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 52.32 NumAromaticRings: 1
AD44411
Formula: C10H10O4

Smiles:
COc1cc(C=O)ccc1OC(C)=O
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.2
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 52.6 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O