Glycoside
GD146339
Name:
N-(2-{[2-(5-{4-[6a,9b-dimethyl-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-dodecahydroindeno[5,4-b]pyran-7-yl]-1-hydroxypent-4-en-1-yl}-5-methyloxolan-2-yl)propan-2-yl]oxy}-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl)acetamideFormula:
C45H77O15NSmiles:
C=C(CCC(O)C1(C)CCC(C(C)(C)OC2OC(COC)C(O)C(O)C2N=C(C)O)O1)C1CCC2C3(C)CCC(C(C)(C)OC4OC(CO)C(O)C(O)C4O)OC3CCC12CAglycone:
C=C(CCC(O)C1(C)CCC(C(C)(C)O)O1)C1CCC2C3(C)CCC(C(C)(C)O)OC3CCC12CSugarmoiety:
COCC1OC(O)C(N=C(C)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 872.1 | Num_heavy_atoms: | 61 |
| TPSA: | 238.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47262
Formula: C30H52O5
Smiles:
C=C(CCC(O)C1(C)CCC(C(C)(C)O)O1)C1CCC2C3(C)CCC(C(C)(C)O)OC3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
