Glycoside
GD151245
Name:
4-(hydroxymethyl)-8,8,11a-trimethyl-1,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1H,3H,6H,7H,7aH,8H,9H,10H,11H,11aH-phenanthro[3,4-c]furan-3-oneFormula:
C32H46O15Smiles:
CC1(C)CCCC2(C)c3c(c(OC4OC(CO)C(O)C(O)C4O)c(CO)c4c3C(OC3OC(CO)C(O)C(O)C3O)OC4=O)CCC12Aglycone:
CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(O)OC4=O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.71 | Num_heavy_atoms: | 47 |
| TPSA: | 245.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD46022
Formula: C20H26O5
Smiles:
CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(O)OC4=O)CCC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
