Glycoside
GD158324
Name:
2-({2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C52H76O12Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(OC1OC(C)C(O)C(O)C1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(OC1OC(C)C(O)C(O)C1O)C(C)(C)OAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 20 |
| MolWt: | 893.17 | Num_heavy_atoms: | 64 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD62507
Formula: C40H56O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 8.82 | Num_rotatable_bonds: | 16 |
| MolWt: | 600.88 | Num_heavy_atoms: | 44 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
