Glycoside
GD016312
Name:
NoneFormula:
C53H84O18N2Smiles:
COC(=O)[C@H](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]1O2)C(C)CAglycone:
COC(=O)C(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)C(C)CSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.68 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 1037.25 | Num_heavy_atoms: | 73 |
| TPSA: | 337.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD11764
Formula: C47H73O15N
Smiles:
COC(=O)C(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)C(C)C| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 892.09 | Num_heavy_atoms: | 63 |
| TPSA: | 273.0 | NumAromaticRings: | 0 |
