Glycoside
GD127401
Name:
NoneFormula:
C48H75O17NSmiles:
COC12CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC(O1)C(C(=O)O)C(O)C2Aglycone:
COC12CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O1)C(C(=O)O)C(O)C2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 938.12 | Num_heavy_atoms: | 66 |
| TPSA: | 308.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD51592
Formula: C42H64O14
Smiles:
COC12CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O1)C(C(=O)O)C(O)C2| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 792.96 | Num_heavy_atoms: | 56 |
| TPSA: | 243.9 | NumAromaticRings: | 0 |
