Glycoside
GD018757
Name:
NoneFormula:
C47H75O16NSmiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)CC2O[C@](O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O)CC(O)C2COAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2COSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.68 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 910.11 | Num_heavy_atoms: | 64 |
| TPSA: | 302.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD13169
Formula: C41H64O13
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2CO| HBA: | 13 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
