Glycoside
GD127318
Name:
12-Oleanene-3,22,24,29-Tetrol; (3β,22α)-Form, 3-O-[β-D-Arabinopyranosyl-(1->3)-β-D-Arabinopyranoside]Formula:
C40H66O12Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD45018
Formula: C30H50O4
Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
