Glycoside
...
GD110997

Name:
None

Formula:
C33H31O15N

Smiles:
CCOC(=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:
CCOC(=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: 0.24
AlogP: 3.21 Num_rotatable_bonds: 14
MolWt: 681.6 Num_heavy_atoms: 49
TPSA: 216.36 NumAromaticRings: 3

Unique Aglycone
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
AD44677
Formula: C9H11O2N

Smiles:
CCOC(=O)c1cccc(N)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00296

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