Glycoside
GD151542
Name:
15-hydroxy-6-({5-[(5-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹â°.0â´,â¹.0¹³,¹â·]icosan-14-oneFormula:
C55H90O20Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6CCC7(C)C(CCC89OC(C)C%10CC(O)C(=O)C%10(C)C(CC87)O9)C6)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1OAglycone:
CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)C(O)CC12Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 10 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 1071.3 | Num_heavy_atoms: | 75 |
| TPSA: | 225.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47053
Formula: C21H32O5
Smiles:
CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)C(O)CC12| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD05624
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1O