Glycoside
GD145028
Name:
7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,10,11-pentahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C40H53O16NSmiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 803.86 | Num_heavy_atoms: | 57 |
| TPSA: | 254.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD50486
Formula: C28H33O10N
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 543.57 | Num_heavy_atoms: | 39 |
| TPSA: | 177.22 | NumAromaticRings: | 2 |
