Glycoside
GD131559
Name:
14,16-dimethoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,â¶.0â¸,¹â¹.0¹³,¹â¸]nonadeca-1,6,8(19),11,13,15,17-heptaen-9-oneFormula:
C24H23O10NSmiles:
COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 485.45 | Num_heavy_atoms: | 35 |
| TPSA: | 147.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD53295
Formula: C18H13O5N
Smiles:
COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 323.3 | Num_heavy_atoms: | 24 |
| TPSA: | 66.02 | NumAromaticRings: | 3 |
