Glycoside
GD157518
Name:
2-{[5,8-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O15Smiles:
CC1(COC2OC(CO)C(O)C(O)C2O)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5C(O)CC43C)C2C1Aglycone:
CC1(CO)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)CC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD62267
Formula: C30H50O5
Smiles:
CC1(CO)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)CC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
