Glycoside
GD137160
Name:
1-acetyl-7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-3a,3b,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl 2-methylbut-2-enoateFormula:
C40H64O14Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(O)C(OC)C5O)C(C)O4)CC3CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OAglycone:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55429
Formula: C26H40O7
Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
