Glycoside
GD130505
Name:
35-36Formula:
C90H152O28Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(OC4OCC(OC)C(OC)C4O)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(OC5OCC(OC)C(OC)C5O)CC=C(C)C=CC(=O)O2)O4)O3)C1Aglycone:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O4)O3)C1Sugarmoiety:
COC1COC(O)C(O)C1OC.COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | 9.16 | Num_rotatable_bonds: | 24 |
| MolWt: | 1682.18 | Num_heavy_atoms: | 118 |
| TPSA: | 362.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD51189
Formula: C76H128O20
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O4)O3)C1| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 16 |
| MolWt: | 1361.84 | Num_heavy_atoms: | 96 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
