Glycoside
GD146031
Name:
methyl 4-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C41H51O14NSmiles:
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)CO4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1C(=O)OCAglycone:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1C(=O)OC.O=C1CCC(O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 781.85 | Num_heavy_atoms: | 56 |
| TPSA: | 196.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD56525
Formula: C30H35O9N
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1C(=O)OC| 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 |
AD58582
Formula: C5H8O3
Smiles:
O=C1CCC(O)OC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
