Glycoside
...
GD005300

Name:
None

Formula:
C29H29O11N3Cl2

Smiles:
O=C(O)CC[C@H](NC(=O)CC1OC(CNC(=O)c2ccccc2C(=O)Nc2cc(Cl)ccc2Cl)C(O)C(O)C1O)C(=O)O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.37
AlogP: 0.65 Num_rotatable_bonds: 12
MolWt: 642.45 Num_heavy_atoms: 43
TPSA: 231.82 NumAromaticRings: 2

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD04525
Formula: C17H12O2N2Cl2

Smiles:
CNC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 3.61 Num_rotatable_bonds: 3
MolWt: 323.18 Num_heavy_atoms: 21
TPSA: 58.2 NumAromaticRings: 2

Sugarmoiety
SD00017

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