Glycoside
GD119456
Name:
2-{[1,2,6,6,7,10-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0²,¹¹.0âµ,¹â°.0¹â¸,²¹]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O13Smiles:
CC(C)=CC1CC(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(C)(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1Aglycone:
CC(C)=CC1CC(O)C2CCC3(C)C2C(CC2C4(C)CCC(C)(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD47862
Formula: C30H50O3
Smiles:
CC(C)=CC1CC(O)C2CCC3(C)C2C(CC2C4(C)CCC(C)(O)C(C)(C)C4CCC23C)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
