Glycoside
GD144537
Name:
1,5,6,24,25,31-hexahydroxy-4,23,30-trimethyl-19-pentyl-32-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,8,20,22,27,29-hexaoxatetracyclo[26.2.2.0²,â·.0²¹,²â¶]dotriacontan-9-oneFormula:
C40H70O18Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(O)C(C)OC2C2(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C(OC1OC(C)C(O)C(O)C1O)C2OAglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(O)C(C)OC2C2(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C(O)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 838.98 | Num_heavy_atoms: | 58 |
| TPSA: | 272.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58083
Formula: C34H60O14
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(O)C(C)OC2C2(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C(O)C2O| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 692.84 | Num_heavy_atoms: | 48 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
