Glycoside
GD039627
Name:
8-acetyl-10-({4-amino-5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C33H39O13NSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 657.67 | Num_heavy_atoms: | 47 |
| TPSA: | 224.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD07249
Formula: C27H29O10N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 185.84 | NumAromaticRings: | 2 |
