Glycoside
GD115310
Name:
2-(hydroxymethyl)-6-({15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,â¶.0â¸,²â°.0¹â´,¹â¹]icosa-1,6,8(20),14,16,18-hexaen-16-yl}oxy)oxane-3,4,5-triolFormula:
C25H29O9NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)ccc2c1CC1c3c(cc4c(c3-2)OCO4)CCN1CAglycone:
COc1c(O)ccc2c1CC1c3c(cc4c(c3-2)OCO4)CCN1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 487.51 | Num_heavy_atoms: | 35 |
| TPSA: | 130.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD45588
Formula: C19H19O4N
Smiles:
COc1c(O)ccc2c1CC1c3c(cc4c(c3-2)OCO4)CCN1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 325.36 | Num_heavy_atoms: | 24 |
| TPSA: | 51.16 | NumAromaticRings: | 2 |
