Glycoside
GD133961
Name:
1-(5-{[5-(hydroxymethyl)-4-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,7-tetrolFormula:
C38H66O13Smiles:
COC1C(CO)OC(OC(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC23O)C(C)C)C1OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1C(CO)OC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.93 | Num_heavy_atoms: | 51 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04465
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
