Glycoside
GD019781
Name:
TETRIN CFormula:
C34H47O14NSmiles:
C[C@@H]1OC(=O)C=CC(=O)C(=O)C[C@@H](O)C[C@@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N)[C@H]3O)C=CC=CC=CC=C[C@H]1C)O2Aglycone:
CC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(=O)C(=O)C=CC(=O)OC1C)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 693.74 | Num_heavy_atoms: | 49 |
| TPSA: | 252.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD13761
Formula: C28H36O11
Smiles:
CC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(=O)C(=O)C=CC(=O)OC1C)CC(O)C2C(=O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 548.59 | Num_heavy_atoms: | 39 |
| TPSA: | 187.89 | NumAromaticRings: | 0 |
