Glycoside
GD035236
Name:
NoneFormula:
C38H61O9NSmiles:
CC1(C)CC[C@]2(NC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H]6O[C@H](C[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)OC[C@@]6(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(NC(=O)O)CCC32C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 675.9 | Num_heavy_atoms: | 48 |
| TPSA: | 157.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD22311
Formula: C32H51O4N
Smiles:
CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(NC(=O)O)CCC32C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 513.76 | Num_heavy_atoms: | 37 |
| TPSA: | 67.79 | NumAromaticRings: | 0 |
