Glycoside
GD116835
Name:
14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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:
C22H19O9NSmiles:
OCC1OC(Oc2cccc3c2cc2c4c(cc5c(c43)OCO5)C(O)=N2)C(O)C(O)C1OAglycone:
OC1=Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 441.39 | Num_heavy_atoms: | 32 |
| TPSA: | 150.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD46476
Formula: C16H9O4N
Smiles:
OC1=Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 279.25 | Num_heavy_atoms: | 21 |
| TPSA: | 71.28 | NumAromaticRings: | 3 |
