Glycoside
...
GD035835

Name:
3-hydroxy-3-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-({2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),6,8,10(15),11,13-heptaen-8-yl}oxy)oxan-2-yl]methoxy}pentanoic acid

Formula:
C26H26O11N2

Smiles:
C[C@](O)(CC(=O)O)CC(=O)OC[C@@H]1O[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1ccc2ncc(O)c3c4ccccc4n1c23

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.38
AlogP: -0.22 Num_rotatable_bonds: 8
MolWt: 542.5 Num_heavy_atoms: 39
TPSA: 197.35 NumAromaticRings: 4

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD20470
Formula: C14H8O2N2

Smiles:
O=c1ccc2ncc(O)c3c4ccccc4n1c23
HBA: 4 RingCount: 4
HBD: 1 FractionCSP3: 0.0
AlogP: 2.14 Num_rotatable_bonds: 0
MolWt: 236.23 Num_heavy_atoms: 18
TPSA: 54.6 NumAromaticRings: 4

Sugarmoiety
SD00017

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