Glycoside
GD005162
Name:
CYMARINFormula:
C30H46O9Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(OC)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1OAglycone:
COC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04411
Formula: C23H34O6
Smiles:
COC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
