Glycoside
...
GD110940

Name:
None

Formula:
C27H33O7N4Cl

Smiles:
CC(=O)O[C@H](C(=O)O)[C@H](OC(C)=O)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(Cl)cnc3[nH]2)C[C@H]1C(C)C

Aglycone:
CC1=CC(CN)C(C(C)C)CC1Cc1nc2cc(Cl)cnc2[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.54
AlogP: 3.07 Num_rotatable_bonds: 10
MolWt: 549.02 Num_heavy_atoms: 38
TPSA: 160.57 NumAromaticRings: 2

Unique Aglycone
AD44684
Formula: C19H25N4Cl

Smiles:
CC1=CC(CN)C(C(C)C)CC1Cc1nc2cc(Cl)cnc2[nH]1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.56
AlogP: 3.97 Num_rotatable_bonds: 4
MolWt: 332.88 Num_heavy_atoms: 23
TPSA: 67.59 NumAromaticRings: 2

Sugarmoiety
SD03796

CC(=O)OC(C(=O)O)C(OC(C)=O)C(=O)O