Glycoside
GD108960
Name:
2-({1-[(adamantan-1-yl)imino]-3-{2-[(adamantan-1-yl)imino]-1-hydroxyethoxy}-4-hydroxybutan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C34H52O10N2Smiles:
CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H](/C=N\[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@@H](CO)O[C@H](O)/C=N/[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@@H]1OAglycone:
OCC(OC(O)C=NC12CC3CC(CC(C3)C1)C2)C(O)C=NC12CC3CC(CC(C3)C1)C2Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 179.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD44473
Formula: C26H40O4N2
Smiles:
OCC(OC(O)C=NC12CC3CC(CC(C3)C1)C2)C(O)C=NC12CC3CC(CC(C3)C1)C2| HBA: | 6 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.62 | Num_heavy_atoms: | 32 |
| TPSA: | 94.64 | NumAromaticRings: | 0 |
