Glycoside

GD120354
Name:
19-(2-hydroxyethyl)-19-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0â´,â¹.0¹âµ,²â°]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneFormula:
C26H26O10N2Smiles:
O=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)C1(CCO)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)C1(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.42 |
AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
MolWt: | 526.5 | Num_heavy_atoms: | 38 |
TPSA: | 180.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD48340
Formula: C20H16O5N2
Smiles:
O=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)C1(O)CCOHBA: | 7 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.25 |
AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
MolWt: | 364.36 | Num_heavy_atoms: | 27 |
TPSA: | 101.65 | NumAromaticRings: | 3 |