Glycoside
GD136595
Name:
2-[9-ethenyl-7-(methoxycarbonyl)-10-{[3,4,5-trihydroxy-2,6-bis(hydroxymethyl)oxan-2-yl]oxy}spiro[4.5]dec-6-en-8-yl]acetic acidFormula:
C23H34O11Smiles:
C=CC1C(CC(=O)O)C(C(=O)OC)=CC2(CCCC2)C1OC1(CO)OC(CO)C(O)C(O)C1OAglycone:
C=CC1C(CC(=O)O)C(C(=O)OC)=CC2(CCCC2)C1OSugarmoiety:
OCC1OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55224
Formula: C16H22O5
Smiles:
C=CC1C(CC(=O)O)C(C(=O)OC)=CC2(CCCC2)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.35 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
