Glycoside
GD129769
Name:
6-acetyl-14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-9-yl 2-methylbutanoateFormula:
C40H64O13Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OAglycone:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 171.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD52571
Formula: C26H40O6
Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.6 | Num_heavy_atoms: | 32 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
