Glycoside
...
GD000522

Name:
None

Formula:
C26H39O8N3

Smiles:
CO[C@H](C(=O)NC1CC[C@H](OC(=O)CCc2cccnc2)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C

Aglycone:
C=CC(C)(C)C.NC1CCC(OC(=O)CCc2cccnc2)CNC1=O

Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.62
AlogP: 0.02 Num_rotatable_bonds: 11
MolWt: 521.61 Num_heavy_atoms: 37
TPSA: 167.31 NumAromaticRings: 1

Unique Aglycone
AD00410
Formula: C6H12

Smiles:
C=CC(C)(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 84.16 Num_heavy_atoms: 6
TPSA: 0.0 NumAromaticRings: 0
AD00577
Formula: C14H19O3N3

Smiles:
NC1CCC(OC(=O)CCc2cccnc2)CNC1=O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 277.32 Num_heavy_atoms: 20
TPSA: 94.31 NumAromaticRings: 1

Sugarmoiety
SD00152

COC(C(=O)O)C(O)C(O)C(O)O