Glycoside
GD145223
Name:
2-{[3,8-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O15Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5C(O)CC4(C)C3(C)CC(OC3OC(CO)C(O)C(O)C3O)C2(C)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58306
Formula: C30H50O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
