Glycoside
GD152048
Name:
6-[(2-{2,7-dihydroxy-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]-4-[(2-methylpropanoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C35H52O11Smiles:
C=C1C(O)CCC2(C)CCC(O)(C(C)(C)OC3OC(C)C(OC(=O)C(C)=CC)C(OC(=O)C(C)C)C3OC(=O)C(C)=CC)C3OC132Aglycone:
C=C1C(O)CCC2(C)CCC(O)(C(C)(C)O)C3OC132.CC(C)C(=O)O.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 150.35 | 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 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD45308
Formula: C15H24O4
Smiles:
C=C1C(O)CCC2(C)CCC(O)(C(C)(C)O)C3OC132| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 73.22 | NumAromaticRings: | 0 |
