Glycoside
GD123082
Name:
2-[(4,5-dihydroxy-6-{[15-(6-hydroxy-6-methylhept-4-en-2-yl)-7,7,8,12,16-pentamethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H72O12Smiles:
CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4(C)C(C)(C)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4(C)C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 781.04 | Num_heavy_atoms: | 55 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD49647
Formula: C31H52O2
Smiles:
CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4(C)C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 7.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.76 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
