Glycoside
GD147883
Name:
19-ethenyl-16-methoxy-18-{[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)-heptaen-14-oneFormula:
C27H28O9N2Smiles:
C=CC1c2cc3n(c(=O)c2C(OC)OC1OC1OC(CO)C(O)C(O)C1O)Cc1cc2ccccc2nc1-3Aglycone:
C=CC1c2cc3n(c(=O)c2C(OC)OC1O)Cc1cc2ccccc2nc1-3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.53 | Num_heavy_atoms: | 38 |
| TPSA: | 152.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD59206
Formula: C21H18O4N2
Smiles:
C=CC1c2cc3n(c(=O)c2C(OC)OC1O)Cc1cc2ccccc2nc1-3| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.39 | Num_heavy_atoms: | 27 |
| TPSA: | 73.58 | NumAromaticRings: | 3 |
