Glycoside
GD147177
Name:
2-(hydroxymethyl)-6-{5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.0²,¹â°.0â´,â¸.0¹âµ,²³.0¹â·,²¹]tetracosa-2(10),3,8,15(23),16,21-hexaen-14-yloxy}oxane-3,4,5-triolFormula:
C25H27O10NSmiles:
OCC1OC(OC2c3cc4c(cc3CC3c5cc6c(cc5CCN32)OCO6)OCO4)C(O)C(O)C1OAglycone:
OC1c2cc3c(cc2CC2c4cc5c(cc4CCN12)OCO5)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 501.49 | Num_heavy_atoms: | 36 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD58954
Formula: C19H17O5N
Smiles:
OC1c2cc3c(cc2CC2c4cc5c(cc4CCN12)OCO5)OCO3| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 339.35 | Num_heavy_atoms: | 25 |
| TPSA: | 60.39 | NumAromaticRings: | 2 |
