Glycoside

GD128211
Name:
14-hydroxy-10-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,â¶.0â¸,¹â¹.0¹³,¹â¸]nonadeca-1,6,8(19),11,13,15,17-heptaen-9-oneFormula:
C22H19O10NSmiles:
O=C1c2cc3c(c4c2c(cc2c(O)cccc24)N1C1(O)OC(CO)C(O)C(O)C1O)OCO3Aglycone:
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.32 |
AlogP: | -0.49 | Num_rotatable_bonds: | 2 |
MolWt: | 457.39 | Num_heavy_atoms: | 33 |
TPSA: | 169.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD19050
Formula: C16H9O4N
Smiles:
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4HBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.06 |
AlogP: | 2.99 | Num_rotatable_bonds: | 0 |
MolWt: | 279.25 | Num_heavy_atoms: | 21 |
TPSA: | 67.79 | NumAromaticRings: | 3 |