Glycoside
GD114157
Name:
2-[(4,5-dihydroxy-2-{[6-hydroxy-7,7,12,16-tetramethyl-15-(2,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CAglycone:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD44865
Formula: C30H52O5
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
