Glycoside
GD138794
Name:
2-{[4,5-dihydroxy-2-({15-[4-hydroxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H68O13Smiles:
CC(C)=CC1OCC(C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)C1OAglycone:
CC(C)=CC1OCC(C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)C1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55998
Formula: C30H48O3
Smiles:
CC(C)=CC1OCC(C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)C1O| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
