Glycoside
GD133026
Name:
methyl 2-ethyl-2,7-dihydroxy-4-{[5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-(methylamino)oxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C41H51O14NSmiles:
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1=O.CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 781.85 | Num_heavy_atoms: | 56 |
| TPSA: | 205.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00014
Formula: C6H10O3
Smiles:
CC1OC(O)CCC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD53853
Formula: C29H33O9N
Smiles:
CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 539.58 | Num_heavy_atoms: | 39 |
| TPSA: | 151.62 | NumAromaticRings: | 2 |
