Glycoside
GD149696
Name:
2-[(2-{[8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O14Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C5CC(O)C6(CO)CCC(C)(C)C=C6C5CC(O)C43)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(C)C=C2C3CC(O)C4C(C)(CCC5C(C)(CO)C(O)CCC54C)C3CC(O)C2(CO)CC1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD59844
Formula: C29H48O5
Smiles:
CC1(C)C=C2C3CC(O)C4C(C)(CCC5C(C)(CO)C(O)CCC54C)C3CC(O)C2(CO)CC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
