Glycoside
GD021928
Name:
2-(hydroxymethyl)-6-{[19-(2-methoxyethylidene)-5,7,13-trioxa-11,17-diazaheptacyclo[14.6.1.0¹,¹².0²,¹â°.0â´,â¸.0¹âµ,²â°.0¹â·,²²]tricosa-2,4(8),9,11-tetraen-3-yl]oxy}oxane-3,4,5-triolFormula:
C27H32O10N2Smiles:
COCC=C1CN2[C@H]3C[C@@H]1[C@@H]1COC4=Nc5cc6c(c(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)c5[C@]43C[C@H]12)OCO6Aglycone:
COCC=C1CN2C3CC45C(=Nc6cc7c(c(O)c64)OCO7)OCC3C1CC25Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.56 | Num_heavy_atoms: | 39 |
| TPSA: | 151.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD14922
Formula: C21H22O5N2
Smiles:
COCC=C1CN2C3CC45C(=Nc6cc7c(c(O)c64)OCO7)OCC3C1CC25| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.42 | Num_heavy_atoms: | 28 |
| TPSA: | 72.75 | NumAromaticRings: | 1 |
