Glycoside
GD012710
Name:
Sf2446A1Formula:
C34H35O15NSmiles:
COC(=O)c1c(C)cc2c(c1O)[C@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]1(OC)[C@H](O)C2)C(=O)C=C(N[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@H]1OC)C4=OAglycone:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(N)C4=OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 697.65 | Num_heavy_atoms: | 50 |
| TPSA: | 244.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD06103
Formula: C26H21O11N
Smiles:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(N)C4=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 523.45 | Num_heavy_atoms: | 38 |
| TPSA: | 210.75 | NumAromaticRings: | 2 |
