Glycoside
GD019969
Name:
NoneFormula:
C39H48O15Smiles:
CCCC(=O)O[C@@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3C(=O)OC[C@H]23)OCO4)OC[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCCAglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 756.8 | Num_heavy_atoms: | 54 |
| TPSA: | 169.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02190
Formula: C22H22O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
