Glycoside
GD134519
Name:
2-(hydroxymethyl)-6-(2-{8-[4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl]-1,8-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-10,12,14-trien-12-yl}ethoxy)oxane-3,4,5-triolFormula:
C36H50O12N2Smiles:
OCC1OC(OCCc2ccc(N3CCC4CCCN5c6ccc(CCOC7OC(CO)C(O)C(O)C7O)cc6C3C45)cc2)C(O)C(O)C1OAglycone:
OCCc1ccc(N2CCC3CCCN4c5ccc(CCO)cc5C2C34)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 702.8 | Num_heavy_atoms: | 50 |
| TPSA: | 205.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD54416
Formula: C24H30O2N2
Smiles:
OCCc1ccc(N2CCC3CCCN4c5ccc(CCO)cc5C2C34)cc1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.52 | Num_heavy_atoms: | 28 |
| TPSA: | 46.94 | NumAromaticRings: | 2 |
