Glycoside
GD153203
Name:
2-{[2-({1-[2-butoxy-3-hydroxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C51H86O17Smiles:
CCCCOC1OC(C=C(C)C)CC1(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2CCCC21C.CCCCOSugarmoiety:
CC(C)=CC1CC(O)(O)C(O)O1.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 971.23 | Num_heavy_atoms: | 68 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD47660
Formula: C22H38O
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2CCCC21C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.55 | Num_heavy_atoms: | 23 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
