Glycoside
GD144584
Name:
1-[5-({4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6,7-tetrolFormula:
C39H66O13Smiles:
COC1COC(OC2C(OC(C=CC(C)C3CC(O)C4C5CC(O)C6C(O)C(O)CCC6(C)C5CCC34C)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD58093
Formula: C27H46O5
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
