Glycoside
GD032854
Name:
NoneFormula:
C32H37O12NSmiles:
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]4C[C@H](N)[C@H](O)[C@H](C)O4)[C@H](C)O2)C1)C(=O)c1ccccc1C3=OAglycone:
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=O.CC1OC(O)CC(N)C1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 627.64 | Num_heavy_atoms: | 45 |
| TPSA: | 215.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD01040
Formula: C6H13O3N
Smiles:
CC1OC(O)CC(N)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.17 | Num_heavy_atoms: | 10 |
| TPSA: | 75.71 | NumAromaticRings: | 0 |
AD03224
Formula: C20H16O7
Smiles:
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.34 | Num_heavy_atoms: | 27 |
| TPSA: | 132.13 | NumAromaticRings: | 2 |
