Glycoside
GD155286
Name:
7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,13,21-triazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-oneFormula:
C30H33O11N3Smiles:
CC1OC(OCC2OC(Oc3ccc4[nH]c5c(c4c3)CCn3c-5nc4ccccc4c3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccc(O)cc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 611.6 | Num_heavy_atoms: | 44 |
| TPSA: | 208.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD55589
Formula: C18H13O2N3
Smiles:
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 303.32 | Num_heavy_atoms: | 23 |
| TPSA: | 70.91 | NumAromaticRings: | 4 |
