Glycoside
...
GD126641

Name:
19-ethenyl-16-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,14-pentaene-12-carboxylic acid

Formula:
C27H30O10N2

Smiles:
C=CC1COC(=O)C2=CN3C(C(=O)O)Cc4c([nH]c5ccc(OC6OC(CO)C(O)C(O)C6O)cc45)C3CC21

Aglycone:
C=CC1COC(=O)C2=CN3C(C(=O)O)Cc4c([nH]c5ccc(O)cc45)C3CC21

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.48
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 542.54 Num_heavy_atoms: 39
TPSA: 182.01 NumAromaticRings: 2

Unique Aglycone
AD51258
Formula: C21H20O5N2

Smiles:
C=CC1COC(=O)C2=CN3C(C(=O)O)Cc4c([nH]c5ccc(O)cc45)C3CC21
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.33
AlogP: 2.49 Num_rotatable_bonds: 2
MolWt: 380.4 Num_heavy_atoms: 28
TPSA: 102.86 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O