Glycoside
GD131032
Name:
Spicoside DFormula:
C28H24O15Smiles:
O=C(OCC1OC(Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2O)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 600.49 | Num_heavy_atoms: | 43 |
| TPSA: | 257.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD06961
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
