Glycoside
GD127195
Name:
3-[4-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-oxobutanoyl]-3H-pyrrol-3-ideFormula:
C30H35O10NSmiles:
COc1cc(OC2OC(C[OH2+])C(O)C(O)C2O)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C3CCCC3)cc2c1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 569.61 | Num_heavy_atoms: | 41 |
| TPSA: | 179.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD51499
Formula: C24H24O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[n-]c3)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.46 | Num_heavy_atoms: | 30 |
| TPSA: | 97.93 | NumAromaticRings: | 3 |
