Glycoside
GD124446
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-6-yl)oxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-methoxybenzoateFormula:
C29H34O15Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4cc(O)c5c(c4)CC(C)OC5=O)C(O)C(O)C3O)C2O)cc1Aglycone:
CC1Cc2cc(O)cc(O)c2C(=O)O1.COC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD50270
Formula: C10H10O4
Smiles:
CC1Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
