Glycoside
GD119598
Name:
6-acetyl-8-(acetyloxy)-14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-9-yl 2-methylpropanoateFormula:
C41H64O14Smiles:
COC1CC(OC2CCC3(C)C(CCC45OC46CCC(C(C)=O)C6(C)C(OC(C)=O)C(OC(=O)C(C)C)C35)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(=O)OC1C(OC(=O)C(C)C)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 178.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD47952
Formula: C27H40O7
Smiles:
CC(=O)OC1C(OC(=O)C(C)C)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.61 | Num_heavy_atoms: | 34 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
