Glycoside
GD138310
Name:
5-hydroxy-4-(hydroxymethyl)-6-methyl-9,10-dioxo-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C29H29O11NSmiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.55 | Num_heavy_atoms: | 41 |
| TPSA: | 195.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD55845
Formula: C23H19O7N
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C)c(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.41 | Num_heavy_atoms: | 31 |
| TPSA: | 136.92 | NumAromaticRings: | 3 |
