Glycoside
GD115277
Name:
methyl 2-ethyl-2,5,7-trihydroxy-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:
C41H51O15NSmiles:
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCAglycone:
CC1OC(O)CCC1=O.CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 797.85 | Num_heavy_atoms: | 57 |
| TPSA: | 225.84 | 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 |
AD45567
Formula: C29H33O10N
Smiles:
CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 555.58 | Num_heavy_atoms: | 40 |
| TPSA: | 171.85 | NumAromaticRings: | 2 |
