Glycoside
GD133416
Name:
[3,4-dihydroxy-5,6-bis({[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy})oxan-2-yl]methyl 2-phenylacetateFormula:
C30H30O13Smiles:
O=C1C=CC(O)(CC(=O)OC2OC(COC(=O)Cc3ccccc3)C(O)C(O)C2OC(=O)CC2(O)C=CC(=O)C=C2)C=C1Aglycone:
COC(=O)Cc1ccccc1.O=C1C=CC(O)(CC(=O)O)C=C1.O=C1C=CC(O)(CC(=O)O)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.56 | Num_heavy_atoms: | 43 |
| TPSA: | 203.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD00908
Formula: C9H10O2
Smiles:
COC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD08700
Formula: C8H8O4
Smiles:
O=C1C=CC(O)(CC(=O)O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
