Glycoside
GD016900
Name:
GALLOMYRTUCOMMULONE CFormula:
C27H36O13Smiles:
CC(C)=C[C@]1(O)C(=O)C(C)(C)C(=O)C(C)(C)[C@H]1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 220.51 | NumAromaticRings: | 1 |
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 |
AD12116
Formula: C14H22O4
Smiles:
CC(C)=CC1(O)C(=O)C(C)(C)C(=O)C(C)(C)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.33 | Num_heavy_atoms: | 18 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
