Glycoside
GD139435
Name:
10-{[4-(dimethylamino)-6-({4-hydroxy-6-[(6-hydroxy-2-methyloxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-7-{[4-(dimethylamino)-6-({6-[(6-hydroxy-2-methyloxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C60H88O21N2Smiles:
CCC1(O)CC(OC2C(C)OC(OC3C(O)CC(OC4CCC(O)OC4C)OC3C)CC2N(C)C)c2c(O)c3c(c(O)c2C1OC1C(C)OC(OC2CCC(OC4CCC(O)OC4C)OC2C)CC1N(C)C)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2C(C)OC(O)CC2N(C)C)c2c(O)c3c(c(O)c2C1OC1C(C)OC(OC2CCC(OC4CCC(O)OC4C)OC2C)CC1N(C)C)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 1173.36 | Num_heavy_atoms: | 83 |
| TPSA: | 292.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD56227
Formula: C48H68O16N2
Smiles:
CCC1(O)CC(OC2C(C)OC(O)CC2N(C)C)c2c(O)c3c(c(O)c2C1OC1C(C)OC(OC2CCC(OC4CCC(O)OC4C)OC2C)CC1N(C)C)C(=O)c1cccc(O)c1C3=O| HBA: | 18 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 929.07 | Num_heavy_atoms: | 66 |
| TPSA: | 235.84 | NumAromaticRings: | 2 |
