Glycoside
GD118812
Name:
3-hydroxy-4,5-bis(3,4,5-trihydroxycyclohexanecarbonyloxy)-6-[(3,4,5-trihydroxycyclohexanecarbonyloxy)methyl]oxan-2-yl 3,4,5-trihydroxycyclohexane-1-carboxylateFormula:
C34H52O22Smiles:
O=C(OCC1OC(OC(=O)C2CC(O)C(O)C(O)C2)C(O)C(OC(=O)C2CC(O)C(O)C(O)C2)C1OC(=O)C1CC(O)C(O)C(O)C1)C1CC(O)C(O)C(O)C1Aglycone:
COC(=O)C1CC(O)C(O)C(O)C1.O=C(O)C1CC(O)C(O)C(O)C1.O=C(O)C1CC(O)C(O)C(O)C1.O=C(O)C1CC(O)C(O)C(O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -7.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 812.77 | Num_heavy_atoms: | 56 |
| TPSA: | 377.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD47538
Formula: C8H14O5
Smiles:
COC(=O)C1CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.19 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD47539
Formula: C7H12O5
Smiles:
O=C(O)C1CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
