Glycoside
GD129274
Name:
12-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-14-methoxy-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:
C29H31O15NSmiles:
COc1cccc2c1c(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)c1c3c(cc4c(c32)OCO4)C(O)=N1Aglycone:
COc1cccc2c1c(O)c1c3c(cc4c(c32)OCO4)C(O)=N1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.56 | Num_heavy_atoms: | 45 |
| TPSA: | 238.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD52373
Formula: C17H11O5N
Smiles:
COc1cccc2c1c(O)c1c3c(cc4c(c32)OCO4)C(O)=N1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.28 | Num_heavy_atoms: | 23 |
| TPSA: | 80.51 | NumAromaticRings: | 3 |
