Glycoside
GD143143
Name:
Tetrin BFormula:
C34H51O14NSmiles:
CC1C=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)C=CC(=O)OC1C)CC(O)C2C(=O)OAglycone:
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: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 697.78 | Num_heavy_atoms: | 49 |
| TPSA: | 258.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD57581
Formula: C28H40O11
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: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
