Glycoside
GD153663
Name:
(3,4,5-trihydroxy-6-{[7-(hydroxymethyl)-4-(methoxycarbonyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl)methyl 6-ethyl-6-hydroxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,âµ.0¹¹,¹â´]pentadecan]-8'(14')-ene-12'-carboxylateFormula:
C39H55O13NSmiles:
CCC1(O)CCC2(CO1)C1CCC3=C4C(CC3)C(C(=O)OCC3OC(OC5OC=C(C(=O)OC)C6CC=C(CO)C56)C(O)C(O)C3O)CC42CN(C)C1Aglycone:
CCC1(O)CCC2(CO1)C1CCC3=C4C(CC3)C(C(=O)OC)CC42CN(C)C1.COC(=O)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 745.86 | Num_heavy_atoms: | 53 |
| TPSA: | 193.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01075
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD61086
Formula: C23H35O4N
Smiles:
CCC1(O)CCC2(CO1)C1CCC3=C4C(CC3)C(C(=O)OC)CC42CN(C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 389.54 | Num_heavy_atoms: | 28 |
| TPSA: | 59.0 | NumAromaticRings: | 0 |
