Glycoside
GD154496
Name:
[3,4,5-trihydroxy-6-({3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-2-yl}methoxy)oxan-2-yl]methyl acetateFormula:
C20H34O16Smiles:
CC(=O)OCC1OC(OCC2OC(OC3C(C)OC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(C)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -5.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.48 | Num_heavy_atoms: | 36 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
