Glycoside
GD022002
Name:
NoneFormula:
C27H45O8NSmiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](CC[N+](=O)[O-])CC[C@@]43O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(CC[N+](=O)[O-])CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 511.66 | Num_heavy_atoms: | 36 |
| TPSA: | 142.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD10664
Formula: C21H35O4N
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(CC[N+](=O)[O-])CCC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.51 | Num_heavy_atoms: | 26 |
| TPSA: | 83.6 | NumAromaticRings: | 0 |
