Glycoside
GD023407
Name:
[6-({2-[(benzoyloxy)methyl]-6-methoxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C31H34O15Smiles:
CO[C@@]12C[C@]3(C)O[C@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]2C[C@]31O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.6 | Num_heavy_atoms: | 46 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD08968
Formula: C18H20O6
Smiles:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31O| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 74.22 | NumAromaticRings: | 1 |
