Glycoside
GD128125
Name:
4-(acetyloxy)-6-({2-[7-(acetyloxy)-2-hydroxy-4a-methyl-8-methylidene-octahydro-1aH-naphtho[1,8a-b]oxiren-2-yl]propan-2-yl}oxy)-2-methyl-5-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C35H50O12Smiles:
C=C1C(OC(C)=O)CCC2(C)CCC(O)(C(C)(C)OC3OC(C)C(OC(=O)C(C)=CC)C(OC(C)=O)C3OC(=O)C(C)=CC)C3OC132Aglycone:
C=C1C(OC(C)=O)CCC2(C)CCC(O)(C(C)(C)O)C3OC132.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 156.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD51902
Formula: C17H26O5
Smiles:
C=C1C(OC(C)=O)CCC2(C)CCC(O)(C(C)(C)O)C3OC132| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.39 | Num_heavy_atoms: | 22 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
