Glycoside
...
GD117479

Name:
methyl 13-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14,18-dioxa-3,23-diazahexacyclo[13.7.2.0²,¹⁰.0⁴,⁹.0¹²,²³.0¹⁶,²¹]tetracosa-2(10),4,6,8,19-pentaene-20-carboxylate

Formula:
C28H32O11N2

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4C(Cc5c([nH]c6ccccc56)C4CC12)C(=O)O3

Aglycone:
COC(=O)C1=COC(O)C2C3CN4C(Cc5c([nH]c6ccccc56)C4CC12)C(=O)O3

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 5 FractionCSP3: 0.57
AlogP: -0.77 Num_rotatable_bonds: 4
MolWt: 572.57 Num_heavy_atoms: 41
TPSA: 180.24 NumAromaticRings: 2

Unique Aglycone
AD46844
Formula: C22H22O6N2

Smiles:
COC(=O)C1=COC(O)C2C3CN4C(Cc5c([nH]c6ccccc56)C4CC12)C(=O)O3
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.45
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 410.43 Num_heavy_atoms: 30
TPSA: 101.09 NumAromaticRings: 2

Sugarmoiety
SD00003

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