Glycoside
GD127156
Name:
2-[(2-{5-[7,11-dihydroxy-3b,6,6,9a-tetramethyl-3a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-yl}propan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(C2CCC3(COC4OC(CO)C(O)C(O)C4O)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(CO)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51482
Formula: C30H52O5
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(CO)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
