Glycoside
GD020369
Name:
NoneFormula:
C51H80O19N2Smiles:
COC(=O)[C@H](CO)NC(=O)[C@@H]1[C@H](O)C[C@]2(O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N)[C@H]3O)C[C@H]1O2Aglycone:
COC(=O)C(CO)NC(=O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.67 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 1025.2 | Num_heavy_atoms: | 72 |
| TPSA: | 357.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD07197
Formula: C45H69O16N
Smiles:
COC(=O)C(CO)NC(=O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 880.04 | Num_heavy_atoms: | 62 |
| TPSA: | 293.23 | NumAromaticRings: | 0 |
