Glycoside
GD119504
Name:
methyl 4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-(dimethylamino)-6-methyloxan-2-yl}oxy)-2-ethyl-2,7-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C36H45O12NSmiles:
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 683.75 | Num_heavy_atoms: | 49 |
| TPSA: | 181.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD47891
Formula: C30H35O9N
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.61 | Num_heavy_atoms: | 40 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
