Glycoside
...
GD128393

Name:
15-ethenyl-20-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-1,11-diazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2,4,6,8(21),9,11,18-heptaene-10-carboxylic acid

Formula:
C27H26O10N2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)n3c4ccccc4c4cc(C(=O)O)nc(c43)CC21

Aglycone:
C=CC1C(O)OC=C2C(=O)n3c4ccccc4c4cc(C(=O)O)nc(c43)CC21

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.37
AlogP: 0.56 Num_rotatable_bonds: 5
MolWt: 538.51 Num_heavy_atoms: 39
TPSA: 180.8 NumAromaticRings: 3

Unique Aglycone
AD52003
Formula: C21H16O5N2

Smiles:
C=CC1C(O)OC=C2C(=O)n3c4ccccc4c4cc(C(=O)O)nc(c43)CC21
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.19
AlogP: 2.73 Num_rotatable_bonds: 2
MolWt: 376.37 Num_heavy_atoms: 28
TPSA: 101.65 NumAromaticRings: 3

Sugarmoiety
SD00003

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